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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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/Dha-2205dd04/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Dha-2205dd04/inputs/seq.fa: 1 curr_seq: _GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GAUUCAGUUAUAAAUGAAAGAAUGUAUUAUAACAGUAGGAAGUGUACCUAGGGUUCCGGGAGCUGCUCCGUCUGGUCCGAGCGGUACAAGAUCCAGAGCAUGGAUUUACACCGUGGGCAGAAAAUACCCGAGCGGAAAGUUCCUCGAGAGGGUAGGAACACCGCUCGGUUUUCUAUAAUAUUCAGAGGAUCC 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 192 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: 965 n_atoms_counter: 965 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 192.000000 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: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -774.514858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.514858 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -747.327723 where: bonds (distance) C4'-P energy: -186.543 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -140.971 flat angles P-C4'-P energy: -161.256 tors. eta vs tors. theta energy: -85.890 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -945.486363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.486363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.486363 (E_RNA) where: Base-Base interactions energy: -388.689 where: short stacking energy: -381.539 Base-Backbone interact. energy: -0.108 local terms energy: -556.689342 where: bonds (distance) C4'-P energy: -128.498 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -118.652 flat angles P-C4'-P energy: -79.433 tors. eta vs tors. theta energy: -95.431 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -873.242007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.242007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.242007 (E_RNA) where: Base-Base interactions energy: -353.394 where: short stacking energy: -353.394 Base-Backbone interact. energy: -0.150 local terms energy: -519.697402 where: bonds (distance) C4'-P energy: -120.954 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -116.600 flat angles P-C4'-P energy: -79.030 tors. eta vs tors. theta energy: -84.347 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: 2 Temperature: 1.000000 Total energy: -805.387657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.387657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.387657 (E_RNA) where: Base-Base interactions energy: -315.366 where: short stacking energy: -306.765 Base-Backbone interact. energy: -0.604 local terms energy: -489.417491 where: bonds (distance) C4'-P energy: -125.199 bonds (distance) P-C4' energy: -115.755 flat angles C4'-P-C4' energy: -118.276 flat angles P-C4'-P energy: -70.195 tors. eta vs tors. theta energy: -59.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -825.086105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.086105 (E_RNA) where: Base-Base interactions energy: -320.216 where: short stacking energy: -307.386 Base-Backbone interact. energy: 1.562 local terms energy: -506.431854 where: bonds (distance) C4'-P energy: -123.428 bonds (distance) P-C4' energy: -123.011 flat angles C4'-P-C4' energy: -104.640 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: -77.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -780.748614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.748614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.748614 (E_RNA) where: Base-Base interactions energy: -62.454 where: short stacking energy: -62.454 Base-Backbone interact. energy: -0.000 local terms energy: -718.294155 where: bonds (distance) C4'-P energy: -170.618 bonds (distance) P-C4' energy: -159.074 flat angles C4'-P-C4' energy: -141.329 flat angles P-C4'-P energy: -156.122 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -775.423214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.423214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.423214 (E_RNA) where: Base-Base interactions energy: -38.103 where: short stacking energy: -38.103 Base-Backbone interact. energy: -0.000 local terms energy: -737.320318 where: bonds (distance) C4'-P energy: -180.661 bonds (distance) P-C4' energy: -168.083 flat angles C4'-P-C4' energy: -140.601 flat angles P-C4'-P energy: -160.078 tors. eta vs tors. theta energy: -87.897 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -778.594066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.594066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.594066 (E_RNA) where: Base-Base interactions energy: -60.545 where: short stacking energy: -60.545 Base-Backbone interact. energy: -0.000 local terms energy: -718.048515 where: bonds (distance) C4'-P energy: -170.730 bonds (distance) P-C4' energy: -158.017 flat angles C4'-P-C4' energy: -139.723 flat angles P-C4'-P energy: -156.273 tors. eta vs tors. theta energy: -93.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -775.380936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.380936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.380936 (E_RNA) where: Base-Base interactions energy: -31.149 where: short stacking energy: -31.149 Base-Backbone interact. energy: -0.000 local terms energy: -744.232023 where: bonds (distance) C4'-P energy: -186.195 bonds (distance) P-C4' energy: -170.632 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -160.948 tors. eta vs tors. theta energy: -86.136 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -776.616400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.616400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.616400 (E_RNA) where: Base-Base interactions energy: -33.165 where: short stacking energy: -33.165 Base-Backbone interact. energy: -0.000 local terms energy: -743.451419 where: bonds (distance) C4'-P energy: -185.110 bonds (distance) P-C4' energy: -170.389 flat angles C4'-P-C4' energy: -140.446 flat angles P-C4'-P energy: -160.714 tors. eta vs tors. theta energy: -86.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -776.875813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.875813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.875813 (E_RNA) where: Base-Base interactions energy: -32.795 where: short stacking energy: -32.795 Base-Backbone interact. energy: -0.000 local terms energy: -744.080661 where: bonds (distance) C4'-P energy: -186.079 bonds (distance) P-C4' energy: -170.393 flat angles C4'-P-C4' energy: -140.356 flat angles P-C4'-P energy: -160.770 tors. eta vs tors. theta energy: -86.483 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -990.332889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.332889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.332889 (E_RNA) where: Base-Base interactions energy: -425.919 where: short stacking energy: -420.651 Base-Backbone interact. energy: -0.149 local terms energy: -564.265299 where: bonds (distance) C4'-P energy: -127.208 bonds (distance) P-C4' energy: -122.430 flat angles C4'-P-C4' energy: -113.425 flat angles P-C4'-P energy: -98.955 tors. eta vs tors. theta energy: -102.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -886.990512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.990512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.990512 (E_RNA) where: Base-Base interactions energy: -366.472 where: short stacking energy: -319.098 Base-Backbone interact. energy: -1.202 local terms energy: -519.316538 where: bonds (distance) C4'-P energy: -124.405 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -118.819 flat angles P-C4'-P energy: -80.780 tors. eta vs tors. theta energy: -67.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -879.080449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.080449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.080449 (E_RNA) where: Base-Base interactions energy: -391.706 where: short stacking energy: -329.167 Base-Backbone interact. energy: -0.633 local terms energy: -486.742148 where: bonds (distance) C4'-P energy: -112.146 bonds (distance) P-C4' energy: -120.859 flat angles C4'-P-C4' energy: -117.551 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -64.244 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -776.917919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.917919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.917919 (E_RNA) where: Base-Base interactions energy: -308.032 where: short stacking energy: -290.780 Base-Backbone interact. energy: 0.216 local terms energy: -469.101586 where: bonds (distance) C4'-P energy: -117.284 bonds (distance) P-C4' energy: -123.333 flat angles C4'-P-C4' energy: -111.028 flat angles P-C4'-P energy: -71.018 tors. eta vs tors. theta energy: -46.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -704.755003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.755003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.755003 (E_RNA) where: Base-Base interactions energy: -289.791 where: short stacking energy: -244.009 Base-Backbone interact. energy: 0.139 local terms energy: -415.103397 where: bonds (distance) C4'-P energy: -102.712 bonds (distance) P-C4' energy: -109.313 flat angles C4'-P-C4' energy: -116.563 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -30.738 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -645.676825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.676825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.676825 (E_RNA) where: Base-Base interactions energy: -236.347 where: short stacking energy: -223.269 Base-Backbone interact. energy: 0.224 local terms energy: -409.553419 where: bonds (distance) C4'-P energy: -98.722 bonds (distance) P-C4' energy: -106.337 flat angles C4'-P-C4' energy: -114.583 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -23.526 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -574.229287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.229287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.229287 (E_RNA) where: Base-Base interactions energy: -208.736 where: short stacking energy: -199.362 Base-Backbone interact. energy: -1.418 local terms energy: -364.075623 where: bonds (distance) C4'-P energy: -101.842 bonds (distance) P-C4' energy: -104.192 flat angles C4'-P-C4' energy: -82.954 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -26.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -526.149945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.149945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.149945 (E_RNA) where: Base-Base interactions energy: -198.222 where: short stacking energy: -159.967 Base-Backbone interact. energy: -0.848 local terms energy: -327.079847 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -99.630 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -37.093 tors. eta vs tors. theta energy: 14.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -476.740113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.740113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.740113 (E_RNA) where: Base-Base interactions energy: -171.934 where: short stacking energy: -138.165 Base-Backbone interact. energy: -1.907 local terms energy: -302.899172 where: bonds (distance) C4'-P energy: -107.372 bonds (distance) P-C4' energy: -98.585 flat angles C4'-P-C4' energy: -69.002 flat angles P-C4'-P energy: -51.726 tors. eta vs tors. theta energy: 23.786 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -460.496672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.496672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.496672 (E_RNA) where: Base-Base interactions energy: -148.045 where: short stacking energy: -126.703 Base-Backbone interact. energy: 1.531 local terms energy: -313.982650 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -56.192 tors. eta vs tors. theta energy: 1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1038.660824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.660824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.660824 (E_RNA) where: Base-Base interactions energy: -446.696 where: short stacking energy: -445.040 Base-Backbone interact. energy: 0.348 local terms energy: -592.313015 where: bonds (distance) C4'-P energy: -134.714 bonds (distance) P-C4' energy: -117.589 flat angles C4'-P-C4' energy: -127.024 flat angles P-C4'-P energy: -89.002 tors. eta vs tors. theta energy: -123.984 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -953.139385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.139385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.139385 (E_RNA) where: Base-Base interactions energy: -453.440 where: short stacking energy: -333.333 Base-Backbone interact. energy: -1.550 local terms energy: -498.149576 where: bonds (distance) C4'-P energy: -120.404 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -111.091 flat angles P-C4'-P energy: -69.199 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -880.645286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.645286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.645286 (E_RNA) where: Base-Base interactions energy: -412.134 where: short stacking energy: -345.464 Base-Backbone interact. energy: -1.606 local terms energy: -466.904927 where: bonds (distance) C4'-P energy: -110.663 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -116.325 flat angles P-C4'-P energy: -70.616 tors. eta vs tors. theta energy: -66.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -814.919783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.919783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.919783 (E_RNA) where: Base-Base interactions energy: -336.392 where: short stacking energy: -310.025 Base-Backbone interact. energy: 1.729 local terms energy: -480.256119 where: bonds (distance) C4'-P energy: -115.604 bonds (distance) P-C4' energy: -118.056 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -77.101 tors. eta vs tors. theta energy: -52.124 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -720.028183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.028183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.028183 (E_RNA) where: Base-Base interactions energy: -309.975 where: short stacking energy: -248.032 Base-Backbone interact. energy: -0.024 local terms energy: -410.029285 where: bonds (distance) C4'-P energy: -97.199 bonds (distance) P-C4' energy: -117.608 flat angles C4'-P-C4' energy: -100.212 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -38.221 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -657.586864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.586864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.586864 (E_RNA) where: Base-Base interactions energy: -265.688 where: short stacking energy: -180.677 Base-Backbone interact. energy: 0.739 local terms energy: -392.637241 where: bonds (distance) C4'-P energy: -105.768 bonds (distance) P-C4' energy: -115.379 flat angles C4'-P-C4' energy: -92.061 flat angles P-C4'-P energy: -65.150 tors. eta vs tors. theta energy: -14.280 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -561.148600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.148600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.148600 (E_RNA) where: Base-Base interactions energy: -190.371 where: short stacking energy: -168.396 Base-Backbone interact. energy: -1.012 local terms energy: -369.765694 where: bonds (distance) C4'-P energy: -94.600 bonds (distance) P-C4' energy: -118.340 flat angles C4'-P-C4' energy: -84.180 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -5.828 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -593.334781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.334781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.334781 (E_RNA) where: Base-Base interactions energy: -237.581 where: short stacking energy: -197.737 Base-Backbone interact. energy: 2.823 local terms energy: -358.577177 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -93.582 flat angles P-C4'-P energy: -61.073 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -513.097539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.097539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.097539 (E_RNA) where: Base-Base interactions energy: -193.014 where: short stacking energy: -170.776 Base-Backbone interact. energy: -0.241 local terms energy: -319.842557 where: bonds (distance) C4'-P energy: -91.227 bonds (distance) P-C4' energy: -110.438 flat angles C4'-P-C4' energy: -87.351 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: 14.069 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -458.597740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.597740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.597740 (E_RNA) where: Base-Base interactions energy: -146.204 where: short stacking energy: -133.993 Base-Backbone interact. energy: 3.475 local terms energy: -315.868693 where: bonds (distance) C4'-P energy: -97.099 bonds (distance) P-C4' energy: -99.582 flat angles C4'-P-C4' energy: -82.822 flat angles P-C4'-P energy: -47.199 tors. eta vs tors. theta energy: 10.833 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1035.866539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.866539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.866539 (E_RNA) where: Base-Base interactions energy: -478.603 where: short stacking energy: -401.097 Base-Backbone interact. energy: -0.998 local terms energy: -556.265712 where: bonds (distance) C4'-P energy: -123.382 bonds (distance) P-C4' energy: -121.339 flat angles C4'-P-C4' energy: -121.379 flat angles P-C4'-P energy: -87.376 tors. eta vs tors. theta energy: -102.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -978.014977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.014977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.014977 (E_RNA) where: Base-Base interactions energy: -478.097 where: short stacking energy: -357.125 Base-Backbone interact. energy: -1.241 local terms energy: -498.677108 where: bonds (distance) C4'-P energy: -124.200 bonds (distance) P-C4' energy: -119.736 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -67.213 tors. eta vs tors. theta energy: -74.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -864.014043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.014043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.014043 (E_RNA) where: Base-Base interactions energy: -384.868 where: short stacking energy: -306.591 Base-Backbone interact. energy: -1.446 local terms energy: -477.700385 where: bonds (distance) C4'-P energy: -109.276 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -120.495 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -59.292 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -881.792495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.792495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.792495 (E_RNA) where: Base-Base interactions energy: -424.053 where: short stacking energy: -328.055 Base-Backbone interact. energy: -1.708 local terms energy: -456.031515 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -112.869 flat angles C4'-P-C4' energy: -113.097 flat angles P-C4'-P energy: -59.227 tors. eta vs tors. theta energy: -55.379 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -698.969210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.969210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.969210 (E_RNA) where: Base-Base interactions energy: -281.066 where: short stacking energy: -257.455 Base-Backbone interact. energy: -1.186 local terms energy: -416.716710 where: bonds (distance) C4'-P energy: -117.757 bonds (distance) P-C4' energy: -116.561 flat angles C4'-P-C4' energy: -82.474 flat angles P-C4'-P energy: -63.179 tors. eta vs tors. theta energy: -36.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -762.872865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.872865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.872865 (E_RNA) where: Base-Base interactions energy: -340.397 where: short stacking energy: -242.878 Base-Backbone interact. energy: -3.232 local terms energy: -419.243456 where: bonds (distance) C4'-P energy: -109.246 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -107.482 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -36.551 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: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -645.601890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.601890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.601890 (E_RNA) where: Base-Base interactions energy: -300.805 where: short stacking energy: -167.413 Base-Backbone interact. energy: 0.589 local terms energy: -345.386362 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -120.241 flat angles C4'-P-C4' energy: -100.856 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: 9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -565.020086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.020086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.020086 (E_RNA) where: Base-Base interactions energy: -205.371 where: short stacking energy: -191.998 Base-Backbone interact. energy: 2.228 local terms energy: -361.876585 where: bonds (distance) C4'-P energy: -104.637 bonds (distance) P-C4' energy: -101.340 flat angles C4'-P-C4' energy: -94.343 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: 7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -483.335999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.335999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.335999 (E_RNA) where: Base-Base interactions energy: -171.472 where: short stacking energy: -161.195 Base-Backbone interact. energy: 1.241 local terms energy: -313.105498 where: bonds (distance) C4'-P energy: -93.997 bonds (distance) P-C4' energy: -92.496 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -57.486 tors. eta vs tors. theta energy: 5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -489.643182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.643182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.643182 (E_RNA) where: Base-Base interactions energy: -153.887 where: short stacking energy: -118.820 Base-Backbone interact. energy: 2.640 local terms energy: -338.396040 where: bonds (distance) C4'-P energy: -101.502 bonds (distance) P-C4' energy: -106.442 flat angles C4'-P-C4' energy: -84.581 flat angles P-C4'-P energy: -58.334 tors. eta vs tors. theta energy: 12.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1084.016070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.016070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.016070 (E_RNA) where: Base-Base interactions energy: -552.387 where: short stacking energy: -390.239 Base-Backbone interact. energy: -0.411 local terms energy: -531.218033 where: bonds (distance) C4'-P energy: -113.722 bonds (distance) P-C4' energy: -132.467 flat angles C4'-P-C4' energy: -115.312 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -90.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1022.628869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.628869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.628869 (E_RNA) where: Base-Base interactions energy: -510.741 where: short stacking energy: -370.339 Base-Backbone interact. energy: -0.645 local terms energy: -511.242341 where: bonds (distance) C4'-P energy: -111.698 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -130.398 flat angles P-C4'-P energy: -74.644 tors. eta vs tors. theta energy: -69.983 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -955.327909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.327909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.327909 (E_RNA) where: Base-Base interactions energy: -447.539 where: short stacking energy: -351.832 Base-Backbone interact. energy: -0.459 local terms energy: -507.329581 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -109.870 flat angles C4'-P-C4' energy: -109.098 flat angles P-C4'-P energy: -93.059 tors. eta vs tors. theta energy: -83.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -888.992736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.992736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.992736 (E_RNA) where: Base-Base interactions energy: -434.110 where: short stacking energy: -303.274 Base-Backbone interact. energy: -0.187 local terms energy: -454.696378 where: bonds (distance) C4'-P energy: -111.929 bonds (distance) P-C4' energy: -117.485 flat angles C4'-P-C4' energy: -100.608 flat angles P-C4'-P energy: -67.250 tors. eta vs tors. theta energy: -57.425 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: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -817.065024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.065024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.065024 (E_RNA) where: Base-Base interactions energy: -389.337 where: short stacking energy: -272.023 Base-Backbone interact. energy: 1.179 local terms energy: -428.907534 where: bonds (distance) C4'-P energy: -94.087 bonds (distance) P-C4' energy: -112.964 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -48.172 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: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -704.394055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.394055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.394055 (E_RNA) where: Base-Base interactions energy: -317.115 where: short stacking energy: -230.101 Base-Backbone interact. energy: -0.115 local terms energy: -387.164223 where: bonds (distance) C4'-P energy: -98.379 bonds (distance) P-C4' energy: -91.627 flat angles C4'-P-C4' energy: -106.924 flat angles P-C4'-P energy: -56.375 tors. eta vs tors. theta energy: -33.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -730.653193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.653193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.653193 (E_RNA) where: Base-Base interactions energy: -358.243 where: short stacking energy: -211.778 Base-Backbone interact. energy: -3.522 local terms energy: -368.888042 where: bonds (distance) C4'-P energy: -91.093 bonds (distance) P-C4' energy: -115.173 flat angles C4'-P-C4' energy: -97.783 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -14.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -532.574846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.574846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.574846 (E_RNA) where: Base-Base interactions energy: -199.446 where: short stacking energy: -146.060 Base-Backbone interact. energy: -0.065 local terms energy: -333.063327 where: bonds (distance) C4'-P energy: -101.589 bonds (distance) P-C4' energy: -93.170 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: 2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -521.443534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.443534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.443534 (E_RNA) where: Base-Base interactions energy: -175.415 where: short stacking energy: -142.093 Base-Backbone interact. energy: -1.745 local terms energy: -344.283706 where: bonds (distance) C4'-P energy: -100.126 bonds (distance) P-C4' energy: -113.575 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -58.418 tors. eta vs tors. theta energy: 30.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -498.158665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.158665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.158665 (E_RNA) where: Base-Base interactions energy: -213.224 where: short stacking energy: -148.169 Base-Backbone interact. energy: 10.126 local terms energy: -295.060628 where: bonds (distance) C4'-P energy: -91.672 bonds (distance) P-C4' energy: -100.715 flat angles C4'-P-C4' energy: -84.975 flat angles P-C4'-P energy: -28.684 tors. eta vs tors. theta energy: 10.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1106.855984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.855984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.855984 (E_RNA) where: Base-Base interactions energy: -563.476 where: short stacking energy: -437.012 Base-Backbone interact. energy: -2.031 local terms energy: -541.348325 where: bonds (distance) C4'-P energy: -110.828 bonds (distance) P-C4' energy: -129.858 flat angles C4'-P-C4' energy: -129.532 flat angles P-C4'-P energy: -69.950 tors. eta vs tors. theta energy: -101.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1029.421093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.421093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.421093 (E_RNA) where: Base-Base interactions energy: -518.344 where: short stacking energy: -353.274 Base-Backbone interact. energy: 0.100 local terms energy: -511.176419 where: bonds (distance) C4'-P energy: -121.211 bonds (distance) P-C4' energy: -138.653 flat angles C4'-P-C4' energy: -114.359 flat angles P-C4'-P energy: -63.980 tors. eta vs tors. theta energy: -72.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1006.856417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.856417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.856417 (E_RNA) where: Base-Base interactions energy: -517.512 where: short stacking energy: -360.823 Base-Backbone interact. energy: -0.998 local terms energy: -488.346018 where: bonds (distance) C4'-P energy: -94.476 bonds (distance) P-C4' energy: -123.228 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -76.885 tors. eta vs tors. theta energy: -80.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -890.530549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530549 (E_RNA) where: Base-Base interactions energy: -429.351 where: short stacking energy: -316.779 Base-Backbone interact. energy: -2.750 local terms energy: -458.428960 where: bonds (distance) C4'-P energy: -102.680 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -115.485 flat angles P-C4'-P energy: -77.617 tors. eta vs tors. theta energy: -60.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -900.958560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.958560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.958560 (E_RNA) where: Base-Base interactions energy: -442.898 where: short stacking energy: -321.744 Base-Backbone interact. energy: -0.806 local terms energy: -457.255135 where: bonds (distance) C4'-P energy: -109.831 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -109.924 flat angles P-C4'-P energy: -65.795 tors. eta vs tors. theta energy: -61.512 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: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -866.812414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.812414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.812414 (E_RNA) where: Base-Base interactions energy: -446.528 where: short stacking energy: -275.551 Base-Backbone interact. energy: -7.131 local terms energy: -413.153448 where: bonds (distance) C4'-P energy: -111.523 bonds (distance) P-C4' energy: -96.954 flat angles C4'-P-C4' energy: -98.935 flat angles P-C4'-P energy: -73.167 tors. eta vs tors. theta energy: -32.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -655.212734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.212734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.212734 (E_RNA) where: Base-Base interactions energy: -274.342 where: short stacking energy: -201.510 Base-Backbone interact. energy: -2.117 local terms energy: -378.753555 where: bonds (distance) C4'-P energy: -93.107 bonds (distance) P-C4' energy: -109.558 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -66.110 tors. eta vs tors. theta energy: -10.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -579.331552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.331552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.331552 (E_RNA) where: Base-Base interactions energy: -250.639 where: short stacking energy: -198.567 Base-Backbone interact. energy: -0.598 local terms energy: -328.093949 where: bonds (distance) C4'-P energy: -104.658 bonds (distance) P-C4' energy: -102.897 flat angles C4'-P-C4' energy: -89.145 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: 2.434 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -568.695254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.695254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.695254 (E_RNA) where: Base-Base interactions energy: -244.847 where: short stacking energy: -164.942 Base-Backbone interact. energy: 0.474 local terms energy: -324.322309 where: bonds (distance) C4'-P energy: -106.703 bonds (distance) P-C4' energy: -96.434 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -56.669 tors. eta vs tors. theta energy: 7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -456.225004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.225004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.225004 (E_RNA) where: Base-Base interactions energy: -165.407 where: short stacking energy: -113.681 Base-Backbone interact. energy: -2.124 local terms energy: -288.694221 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -110.985 flat angles C4'-P-C4' energy: -79.352 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: 27.602 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: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1170.820502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.820502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.820502 (E_RNA) where: Base-Base interactions energy: -609.948 where: short stacking energy: -406.759 Base-Backbone interact. energy: -0.963 local terms energy: -559.909586 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -115.210 flat angles C4'-P-C4' energy: -136.646 flat angles P-C4'-P energy: -79.347 tors. eta vs tors. theta energy: -102.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1086.347938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.347938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.347938 (E_RNA) where: Base-Base interactions energy: -580.603 where: short stacking energy: -380.366 Base-Backbone interact. energy: -0.577 local terms energy: -505.167954 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -121.686 flat angles C4'-P-C4' energy: -111.869 flat angles P-C4'-P energy: -88.023 tors. eta vs tors. theta energy: -71.624 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1075.700248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.700248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.700248 (E_RNA) where: Base-Base interactions energy: -563.072 where: short stacking energy: -331.925 Base-Backbone interact. energy: -3.116 local terms energy: -509.512071 where: bonds (distance) C4'-P energy: -105.603 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -125.465 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -79.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -926.297167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.297167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.297167 (E_RNA) where: Base-Base interactions energy: -478.161 where: short stacking energy: -318.717 Base-Backbone interact. energy: 3.318 local terms energy: -451.453953 where: bonds (distance) C4'-P energy: -101.936 bonds (distance) P-C4' energy: -111.887 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -71.538 tors. eta vs tors. theta energy: -56.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -952.537668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.537668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.537668 (E_RNA) where: Base-Base interactions energy: -518.481 where: short stacking energy: -299.744 Base-Backbone interact. energy: -1.484 local terms energy: -432.572563 where: bonds (distance) C4'-P energy: -95.586 bonds (distance) P-C4' energy: -118.321 flat angles C4'-P-C4' energy: -111.711 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -45.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -858.777199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.777199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.777199 (E_RNA) where: Base-Base interactions energy: -432.363 where: short stacking energy: -253.807 Base-Backbone interact. energy: 0.695 local terms energy: -427.108668 where: bonds (distance) C4'-P energy: -103.239 bonds (distance) P-C4' energy: -117.040 flat angles C4'-P-C4' energy: -101.154 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: -36.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -728.349861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.349861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.349861 (E_RNA) where: Base-Base interactions energy: -341.035 where: short stacking energy: -243.125 Base-Backbone interact. energy: -1.507 local terms energy: -385.807613 where: bonds (distance) C4'-P energy: -118.654 bonds (distance) P-C4' energy: -102.453 flat angles C4'-P-C4' energy: -78.672 flat angles P-C4'-P energy: -57.946 tors. eta vs tors. theta energy: -28.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -744.933259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.933259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.933259 (E_RNA) where: Base-Base interactions energy: -394.125 where: short stacking energy: -226.818 Base-Backbone interact. energy: 1.007 local terms energy: -351.815846 where: bonds (distance) C4'-P energy: -91.816 bonds (distance) P-C4' energy: -90.124 flat angles C4'-P-C4' energy: -82.460 flat angles P-C4'-P energy: -61.568 tors. eta vs tors. theta energy: -25.849 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -496.949543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.949543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.949543 (E_RNA) where: Base-Base interactions energy: -174.619 where: short stacking energy: -135.920 Base-Backbone interact. energy: -0.584 local terms energy: -321.746969 where: bonds (distance) C4'-P energy: -102.385 bonds (distance) P-C4' energy: -105.481 flat angles C4'-P-C4' energy: -83.998 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: 23.822 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -528.401037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.401037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.401037 (E_RNA) where: Base-Base interactions energy: -214.836 where: short stacking energy: -122.294 Base-Backbone interact. energy: -2.239 local terms energy: -311.326093 where: bonds (distance) C4'-P energy: -106.785 bonds (distance) P-C4' energy: -97.140 flat angles C4'-P-C4' energy: -77.189 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: 23.603 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: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1165.645896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.645896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.645896 (E_RNA) where: Base-Base interactions energy: -643.423 where: short stacking energy: -405.153 Base-Backbone interact. energy: -2.209 local terms energy: -520.013820 where: bonds (distance) C4'-P energy: -121.179 bonds (distance) P-C4' energy: -119.882 flat angles C4'-P-C4' energy: -130.822 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: -87.305 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: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1192.195748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.195748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.195748 (E_RNA) where: Base-Base interactions energy: -653.441 where: short stacking energy: -379.341 Base-Backbone interact. energy: -0.923 local terms energy: -537.832661 where: bonds (distance) C4'-P energy: -131.189 bonds (distance) P-C4' energy: -127.264 flat angles C4'-P-C4' energy: -121.652 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -80.350 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1095.357810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.357810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.357810 (E_RNA) where: Base-Base interactions energy: -609.970 where: short stacking energy: -369.432 Base-Backbone interact. energy: 0.540 local terms energy: -485.928621 where: bonds (distance) C4'-P energy: -111.276 bonds (distance) P-C4' energy: -113.147 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -62.868 tors. eta vs tors. theta energy: -74.682 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: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1056.605749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.605749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.605749 (E_RNA) where: Base-Base interactions energy: -618.371 where: short stacking energy: -312.495 Base-Backbone interact. energy: -0.408 local terms energy: -437.826452 where: bonds (distance) C4'-P energy: -112.958 bonds (distance) P-C4' energy: -106.684 flat angles C4'-P-C4' energy: -108.965 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -54.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -983.771496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.771496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.771496 (E_RNA) where: Base-Base interactions energy: -518.522 where: short stacking energy: -281.765 Base-Backbone interact. energy: -1.797 local terms energy: -463.452806 where: bonds (distance) C4'-P energy: -111.326 bonds (distance) P-C4' energy: -125.487 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -77.322 tors. eta vs tors. theta energy: -53.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -886.113133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.113133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.113133 (E_RNA) where: Base-Base interactions energy: -487.943 where: short stacking energy: -276.183 Base-Backbone interact. energy: 0.367 local terms energy: -398.537659 where: bonds (distance) C4'-P energy: -81.796 bonds (distance) P-C4' energy: -102.394 flat angles C4'-P-C4' energy: -86.845 flat angles P-C4'-P energy: -82.242 tors. eta vs tors. theta energy: -45.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -758.825812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.825812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.825812 (E_RNA) where: Base-Base interactions energy: -373.715 where: short stacking energy: -247.075 Base-Backbone interact. energy: 0.859 local terms energy: -385.969963 where: bonds (distance) C4'-P energy: -109.742 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -94.343 flat angles P-C4'-P energy: -65.759 tors. eta vs tors. theta energy: -23.819 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: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -781.445867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.445867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.445867 (E_RNA) where: Base-Base interactions energy: -416.393 where: short stacking energy: -208.572 Base-Backbone interact. energy: -1.502 local terms energy: -363.550449 where: bonds (distance) C4'-P energy: -94.845 bonds (distance) P-C4' energy: -89.475 flat angles C4'-P-C4' energy: -102.028 flat angles P-C4'-P energy: -55.874 tors. eta vs tors. theta energy: -21.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -513.720872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.720872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.720872 (E_RNA) where: Base-Base interactions energy: -177.922 where: short stacking energy: -140.409 Base-Backbone interact. energy: -0.558 local terms energy: -335.241031 where: bonds (distance) C4'-P energy: -111.631 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -80.090 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: 0.882 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -522.222103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.222103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.222103 (E_RNA) where: Base-Base interactions energy: -212.328 where: short stacking energy: -132.587 Base-Backbone interact. energy: -0.662 local terms energy: -309.232332 where: bonds (distance) C4'-P energy: -85.009 bonds (distance) P-C4' energy: -115.603 flat angles C4'-P-C4' energy: -77.101 flat angles P-C4'-P energy: -43.321 tors. eta vs tors. theta energy: 11.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1238.416077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.416077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.416077 (E_RNA) where: Base-Base interactions energy: -711.636 where: short stacking energy: -381.055 Base-Backbone interact. energy: -2.354 local terms energy: -524.425340 where: bonds (distance) C4'-P energy: -120.413 bonds (distance) P-C4' energy: -111.238 flat angles C4'-P-C4' energy: -122.955 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -82.395 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: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1123.395915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.395915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.395915 (E_RNA) where: Base-Base interactions energy: -621.353 where: short stacking energy: -373.468 Base-Backbone interact. energy: -1.628 local terms energy: -500.414505 where: bonds (distance) C4'-P energy: -111.295 bonds (distance) P-C4' energy: -121.068 flat angles C4'-P-C4' energy: -120.069 flat angles P-C4'-P energy: -72.911 tors. eta vs tors. theta energy: -75.072 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: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1241.913066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.913066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.913066 (E_RNA) where: Base-Base interactions energy: -739.262 where: short stacking energy: -381.172 Base-Backbone interact. energy: 0.598 local terms energy: -503.249557 where: bonds (distance) C4'-P energy: -126.463 bonds (distance) P-C4' energy: -120.275 flat angles C4'-P-C4' energy: -115.591 flat angles P-C4'-P energy: -67.854 tors. eta vs tors. theta energy: -73.067 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: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -994.354998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.354998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.354998 (E_RNA) where: Base-Base interactions energy: -528.824 where: short stacking energy: -345.810 Base-Backbone interact. energy: -2.958 local terms energy: -462.572238 where: bonds (distance) C4'-P energy: -109.463 bonds (distance) P-C4' energy: -110.856 flat angles C4'-P-C4' energy: -89.645 flat angles P-C4'-P energy: -71.001 tors. eta vs tors. theta energy: -81.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1068.609127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.609127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.609127 (E_RNA) where: Base-Base interactions energy: -615.908 where: short stacking energy: -318.722 Base-Backbone interact. energy: -2.627 local terms energy: -450.073740 where: bonds (distance) C4'-P energy: -96.664 bonds (distance) P-C4' energy: -116.186 flat angles C4'-P-C4' energy: -111.054 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: -59.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -959.038493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.038493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.038493 (E_RNA) where: Base-Base interactions energy: -539.679 where: short stacking energy: -284.115 Base-Backbone interact. energy: 8.851 local terms energy: -428.210347 where: bonds (distance) C4'-P energy: -104.608 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -97.950 flat angles P-C4'-P energy: -59.921 tors. eta vs tors. theta energy: -39.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -866.748391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.748391 (E_RNA) where: Base-Base interactions energy: -470.396 where: short stacking energy: -263.048 Base-Backbone interact. energy: -3.092 local terms energy: -393.260856 where: bonds (distance) C4'-P energy: -110.844 bonds (distance) P-C4' energy: -100.269 flat angles C4'-P-C4' energy: -94.301 flat angles P-C4'-P energy: -46.455 tors. eta vs tors. theta energy: -41.392 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: 10 Temperature: 1.250000 Total energy: -667.942573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.942573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.942573 (E_RNA) where: Base-Base interactions energy: -304.540 where: short stacking energy: -182.228 Base-Backbone interact. energy: 2.533 local terms energy: -365.936071 where: bonds (distance) C4'-P energy: -91.074 bonds (distance) P-C4' energy: -120.012 flat angles C4'-P-C4' energy: -81.758 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -17.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -547.729453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.729453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.729453 (E_RNA) where: Base-Base interactions energy: -228.421 where: short stacking energy: -182.319 Base-Backbone interact. energy: -0.482 local terms energy: -318.825696 where: bonds (distance) C4'-P energy: -83.974 bonds (distance) P-C4' energy: -100.145 flat angles C4'-P-C4' energy: -86.944 flat angles P-C4'-P energy: -50.481 tors. eta vs tors. theta energy: 2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -457.769454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.769454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.769454 (E_RNA) where: Base-Base interactions energy: -195.931 where: short stacking energy: -146.751 Base-Backbone interact. energy: 2.858 local terms energy: -264.696491 where: bonds (distance) C4'-P energy: -105.449 bonds (distance) P-C4' energy: -82.123 flat angles C4'-P-C4' energy: -86.188 flat angles P-C4'-P energy: -22.715 tors. eta vs tors. theta energy: 31.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1277.031196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.031196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.031196 (E_RNA) where: Base-Base interactions energy: -728.220 where: short stacking energy: -436.220 Base-Backbone interact. energy: -0.940 local terms energy: -547.871461 where: bonds (distance) C4'-P energy: -125.733 bonds (distance) P-C4' energy: -117.723 flat angles C4'-P-C4' energy: -124.703 flat angles P-C4'-P energy: -80.916 tors. eta vs tors. theta energy: -98.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1330.541787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.541787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.541787 (E_RNA) where: Base-Base interactions energy: -813.947 where: short stacking energy: -406.975 Base-Backbone interact. energy: -0.710 local terms energy: -515.885341 where: bonds (distance) C4'-P energy: -112.552 bonds (distance) P-C4' energy: -120.018 flat angles C4'-P-C4' energy: -115.533 flat angles P-C4'-P energy: -80.747 tors. eta vs tors. theta energy: -87.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1058.576364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.576364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.576364 (E_RNA) where: Base-Base interactions energy: -557.698 where: short stacking energy: -361.733 Base-Backbone interact. energy: -0.966 local terms energy: -499.912985 where: bonds (distance) C4'-P energy: -122.819 bonds (distance) P-C4' energy: -95.771 flat angles C4'-P-C4' energy: -115.936 flat angles P-C4'-P energy: -84.416 tors. eta vs tors. theta energy: -80.971 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: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1142.395666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.395666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.395666 (E_RNA) where: Base-Base interactions energy: -662.260 where: short stacking energy: -357.539 Base-Backbone interact. energy: -2.191 local terms energy: -477.944756 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -109.143 flat angles C4'-P-C4' energy: -119.267 flat angles P-C4'-P energy: -54.890 tors. eta vs tors. theta energy: -84.902 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: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -887.342792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.342792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.342792 (E_RNA) where: Base-Base interactions energy: -445.035 where: short stacking energy: -292.208 Base-Backbone interact. energy: -1.277 local terms energy: -441.030825 where: bonds (distance) C4'-P energy: -120.085 bonds (distance) P-C4' energy: -98.915 flat angles C4'-P-C4' energy: -110.972 flat angles P-C4'-P energy: -63.699 tors. eta vs tors. theta energy: -47.360 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -932.214278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.214278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.214278 (E_RNA) where: Base-Base interactions energy: -525.845 where: short stacking energy: -290.098 Base-Backbone interact. energy: -1.207 local terms energy: -405.162664 where: bonds (distance) C4'-P energy: -107.215 bonds (distance) P-C4' energy: -92.754 flat angles C4'-P-C4' energy: -96.177 flat angles P-C4'-P energy: -62.803 tors. eta vs tors. theta energy: -46.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -882.674597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.674597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.674597 (E_RNA) where: Base-Base interactions energy: -498.930 where: short stacking energy: -279.579 Base-Backbone interact. energy: -0.116 local terms energy: -383.627761 where: bonds (distance) C4'-P energy: -93.250 bonds (distance) P-C4' energy: -103.328 flat angles C4'-P-C4' energy: -81.769 flat angles P-C4'-P energy: -53.401 tors. eta vs tors. theta energy: -51.879 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: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -672.726823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.726823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.726823 (E_RNA) where: Base-Base interactions energy: -316.061 where: short stacking energy: -177.590 Base-Backbone interact. energy: -0.551 local terms energy: -356.114084 where: bonds (distance) C4'-P energy: -100.945 bonds (distance) P-C4' energy: -102.943 flat angles C4'-P-C4' energy: -93.115 flat angles P-C4'-P energy: -65.309 tors. eta vs tors. theta energy: 6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -551.517889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.517889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.517889 (E_RNA) where: Base-Base interactions energy: -203.928 where: short stacking energy: -160.451 Base-Backbone interact. energy: 4.457 local terms energy: -352.047217 where: bonds (distance) C4'-P energy: -108.647 bonds (distance) P-C4' energy: -105.131 flat angles C4'-P-C4' energy: -93.730 flat angles P-C4'-P energy: -55.997 tors. eta vs tors. theta energy: 11.458 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -466.266173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.266173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.266173 (E_RNA) where: Base-Base interactions energy: -183.697 where: short stacking energy: -147.007 Base-Backbone interact. energy: 0.624 local terms energy: -283.192389 where: bonds (distance) C4'-P energy: -88.682 bonds (distance) P-C4' energy: -86.757 flat angles C4'-P-C4' energy: -80.920 flat angles P-C4'-P energy: -30.185 tors. eta vs tors. theta energy: 3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1385.134943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.134943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.134943 (E_RNA) where: Base-Base interactions energy: -839.983 where: short stacking energy: -434.845 Base-Backbone interact. energy: -0.362 local terms energy: -544.790306 where: bonds (distance) C4'-P energy: -114.051 bonds (distance) P-C4' energy: -126.698 flat angles C4'-P-C4' energy: -117.759 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -112.593 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1282.177318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.177318 (E_RNA) where: Base-Base interactions energy: -764.967 where: short stacking energy: -416.319 Base-Backbone interact. energy: -2.528 local terms energy: -514.682561 where: bonds (distance) C4'-P energy: -115.266 bonds (distance) P-C4' energy: -126.600 flat angles C4'-P-C4' energy: -115.680 flat angles P-C4'-P energy: -67.687 tors. eta vs tors. theta energy: -89.448 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1242.929286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.929286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.929286 (E_RNA) where: Base-Base interactions energy: -736.602 where: short stacking energy: -418.083 Base-Backbone interact. energy: 0.076 local terms energy: -506.403724 where: bonds (distance) C4'-P energy: -119.886 bonds (distance) P-C4' energy: -116.816 flat angles C4'-P-C4' energy: -105.196 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -96.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1003.758775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.758775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.758775 (E_RNA) where: Base-Base interactions energy: -546.064 where: short stacking energy: -346.050 Base-Backbone interact. energy: -0.503 local terms energy: -457.192538 where: bonds (distance) C4'-P energy: -98.862 bonds (distance) P-C4' energy: -112.618 flat angles C4'-P-C4' energy: -109.645 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -61.123 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: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -999.478946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.478946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.478946 (E_RNA) where: Base-Base interactions energy: -564.496 where: short stacking energy: -300.415 Base-Backbone interact. energy: 0.324 local terms energy: -435.306358 where: bonds (distance) C4'-P energy: -100.625 bonds (distance) P-C4' energy: -99.679 flat angles C4'-P-C4' energy: -105.577 flat angles P-C4'-P energy: -69.867 tors. eta vs tors. theta energy: -59.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -851.711063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.711063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.711063 (E_RNA) where: Base-Base interactions energy: -455.492 where: short stacking energy: -268.154 Base-Backbone interact. energy: -1.707 local terms energy: -394.511989 where: bonds (distance) C4'-P energy: -97.804 bonds (distance) P-C4' energy: -100.988 flat angles C4'-P-C4' energy: -114.276 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -33.810 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: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -953.235277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.235277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.235277 (E_RNA) where: Base-Base interactions energy: -535.457 where: short stacking energy: -269.272 Base-Backbone interact. energy: 9.938 local terms energy: -427.715642 where: bonds (distance) C4'-P energy: -108.067 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -113.379 flat angles P-C4'-P energy: -57.667 tors. eta vs tors. theta energy: -46.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -622.572280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.572280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.572280 (E_RNA) where: Base-Base interactions energy: -305.663 where: short stacking energy: -172.327 Base-Backbone interact. energy: 2.705 local terms energy: -319.614850 where: bonds (distance) C4'-P energy: -89.810 bonds (distance) P-C4' energy: -107.739 flat angles C4'-P-C4' energy: -84.915 flat angles P-C4'-P energy: -48.831 tors. eta vs tors. theta energy: 11.681 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: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -553.635375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.635375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.635375 (E_RNA) where: Base-Base interactions energy: -245.260 where: short stacking energy: -160.266 Base-Backbone interact. energy: 1.180 local terms energy: -309.555485 where: bonds (distance) C4'-P energy: -88.682 bonds (distance) P-C4' energy: -108.694 flat angles C4'-P-C4' energy: -75.076 flat angles P-C4'-P energy: -49.124 tors. eta vs tors. theta energy: 12.021 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -452.557274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.557274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.557274 (E_RNA) where: Base-Base interactions energy: -158.145 where: short stacking energy: -112.462 Base-Backbone interact. energy: 6.985 local terms energy: -301.397002 where: bonds (distance) C4'-P energy: -95.556 bonds (distance) P-C4' energy: -88.643 flat angles C4'-P-C4' energy: -85.021 flat angles P-C4'-P energy: -59.057 tors. eta vs tors. theta energy: 26.879 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: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1427.354169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.354169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.354169 (E_RNA) where: Base-Base interactions energy: -858.289 where: short stacking energy: -453.018 Base-Backbone interact. energy: -6.552 local terms energy: -562.513030 where: bonds (distance) C4'-P energy: -123.170 bonds (distance) P-C4' energy: -126.837 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -79.461 tors. eta vs tors. theta energy: -118.981 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: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1337.217824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.217824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.217824 (E_RNA) where: Base-Base interactions energy: -800.243 where: short stacking energy: -463.237 Base-Backbone interact. energy: 3.486 local terms energy: -540.460578 where: bonds (distance) C4'-P energy: -112.330 bonds (distance) P-C4' energy: -123.696 flat angles C4'-P-C4' energy: -116.804 flat angles P-C4'-P energy: -78.518 tors. eta vs tors. theta energy: -109.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1203.439018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.439018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.439018 (E_RNA) where: Base-Base interactions energy: -685.606 where: short stacking energy: -374.063 Base-Backbone interact. energy: -2.511 local terms energy: -515.322359 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -119.617 flat angles C4'-P-C4' energy: -124.700 flat angles P-C4'-P energy: -76.836 tors. eta vs tors. theta energy: -75.222 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: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1144.420367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.420367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.420367 (E_RNA) where: Base-Base interactions energy: -665.578 where: short stacking energy: -320.729 Base-Backbone interact. energy: 1.726 local terms energy: -480.568251 where: bonds (distance) C4'-P energy: -113.020 bonds (distance) P-C4' energy: -107.520 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -74.909 tors. eta vs tors. theta energy: -62.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -996.908408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.908408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.908408 (E_RNA) where: Base-Base interactions energy: -533.137 where: short stacking energy: -305.104 Base-Backbone interact. energy: -3.599 local terms energy: -460.172148 where: bonds (distance) C4'-P energy: -110.000 bonds (distance) P-C4' energy: -99.641 flat angles C4'-P-C4' energy: -120.626 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -60.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1091.473085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.473085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.473085 (E_RNA) where: Base-Base interactions energy: -645.325 where: short stacking energy: -313.801 Base-Backbone interact. energy: -1.407 local terms energy: -444.740951 where: bonds (distance) C4'-P energy: -113.243 bonds (distance) P-C4' energy: -119.170 flat angles C4'-P-C4' energy: -91.724 flat angles P-C4'-P energy: -63.081 tors. eta vs tors. theta energy: -57.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -781.001548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.001548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.001548 (E_RNA) where: Base-Base interactions energy: -373.603 where: short stacking energy: -207.962 Base-Backbone interact. energy: -1.409 local terms energy: -405.990227 where: bonds (distance) C4'-P energy: -106.153 bonds (distance) P-C4' energy: -114.433 flat angles C4'-P-C4' energy: -94.007 flat angles P-C4'-P energy: -62.986 tors. eta vs tors. theta energy: -28.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -686.603265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.603265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.603265 (E_RNA) where: Base-Base interactions energy: -326.433 where: short stacking energy: -203.430 Base-Backbone interact. energy: -0.088 local terms energy: -360.082096 where: bonds (distance) C4'-P energy: -99.910 bonds (distance) P-C4' energy: -109.688 flat angles C4'-P-C4' energy: -88.986 flat angles P-C4'-P energy: -58.851 tors. eta vs tors. theta energy: -2.647 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: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -559.118173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.118173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.118173 (E_RNA) where: Base-Base interactions energy: -215.388 where: short stacking energy: -170.156 Base-Backbone interact. energy: -1.652 local terms energy: -342.078011 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -111.700 flat angles C4'-P-C4' energy: -82.462 flat angles P-C4'-P energy: -48.386 tors. eta vs tors. theta energy: 4.101 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: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -449.544846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.544846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.544846 (E_RNA) where: Base-Base interactions energy: -160.672 where: short stacking energy: -129.725 Base-Backbone interact. energy: 4.046 local terms energy: -292.918321 where: bonds (distance) C4'-P energy: -90.494 bonds (distance) P-C4' energy: -97.733 flat angles C4'-P-C4' energy: -92.585 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: 35.865 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: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1485.037077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.037077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.037077 (E_RNA) where: Base-Base interactions energy: -913.679 where: short stacking energy: -456.526 Base-Backbone interact. energy: -2.614 local terms energy: -568.744322 where: bonds (distance) C4'-P energy: -111.212 bonds (distance) P-C4' energy: -120.514 flat angles C4'-P-C4' energy: -127.083 flat angles P-C4'-P energy: -85.479 tors. eta vs tors. theta energy: -124.456 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: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1383.297360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.297360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.297360 (E_RNA) where: Base-Base interactions energy: -840.505 where: short stacking energy: -457.514 Base-Backbone interact. energy: -1.186 local terms energy: -541.606922 where: bonds (distance) C4'-P energy: -102.916 bonds (distance) P-C4' energy: -131.450 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -99.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1228.761161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.761161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.761161 (E_RNA) where: Base-Base interactions energy: -736.038 where: short stacking energy: -361.192 Base-Backbone interact. energy: -1.757 local terms energy: -490.965835 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -118.604 flat angles C4'-P-C4' energy: -123.427 flat angles P-C4'-P energy: -72.796 tors. eta vs tors. theta energy: -59.197 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: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1114.659319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.659319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.659319 (E_RNA) where: Base-Base interactions energy: -638.728 where: short stacking energy: -375.849 Base-Backbone interact. energy: -1.543 local terms energy: -474.388190 where: bonds (distance) C4'-P energy: -102.789 bonds (distance) P-C4' energy: -106.519 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -65.665 tors. eta vs tors. theta energy: -70.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1218.253109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.253109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.253109 (E_RNA) where: Base-Base interactions energy: -745.498 where: short stacking energy: -372.561 Base-Backbone interact. energy: 1.625 local terms energy: -474.380855 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -111.691 flat angles P-C4'-P energy: -71.439 tors. eta vs tors. theta energy: -91.254 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: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -898.309464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.309464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.309464 (E_RNA) where: Base-Base interactions energy: -485.388 where: short stacking energy: -290.344 Base-Backbone interact. energy: -1.523 local terms energy: -411.398318 where: bonds (distance) C4'-P energy: -101.182 bonds (distance) P-C4' energy: -119.590 flat angles C4'-P-C4' energy: -96.758 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -34.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -718.918299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.918299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.918299 (E_RNA) where: Base-Base interactions energy: -374.042 where: short stacking energy: -224.357 Base-Backbone interact. energy: 0.453 local terms energy: -345.328823 where: bonds (distance) C4'-P energy: -82.721 bonds (distance) P-C4' energy: -92.536 flat angles C4'-P-C4' energy: -101.711 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: -5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -740.546147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.546147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.546147 (E_RNA) where: Base-Base interactions energy: -397.746 where: short stacking energy: -210.470 Base-Backbone interact. energy: 3.600 local terms energy: -346.399709 where: bonds (distance) C4'-P energy: -108.057 bonds (distance) P-C4' energy: -93.871 flat angles C4'-P-C4' energy: -86.040 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -545.192012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.192012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.192012 (E_RNA) where: Base-Base interactions energy: -245.071 where: short stacking energy: -144.873 Base-Backbone interact. energy: -1.633 local terms energy: -298.487457 where: bonds (distance) C4'-P energy: -91.302 bonds (distance) P-C4' energy: -104.069 flat angles C4'-P-C4' energy: -77.957 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: 19.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -459.429932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.429932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.429932 (E_RNA) where: Base-Base interactions energy: -157.332 where: short stacking energy: -140.423 Base-Backbone interact. energy: -2.285 local terms energy: -299.812558 where: bonds (distance) C4'-P energy: -84.850 bonds (distance) P-C4' energy: -108.796 flat angles C4'-P-C4' energy: -73.740 flat angles P-C4'-P energy: -46.432 tors. eta vs tors. theta energy: 14.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1479.192932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.192932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.192932 (E_RNA) where: Base-Base interactions energy: -923.751 where: short stacking energy: -459.129 Base-Backbone interact. energy: -2.711 local terms energy: -552.730425 where: bonds (distance) C4'-P energy: -122.345 bonds (distance) P-C4' energy: -119.880 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -78.504 tors. eta vs tors. theta energy: -112.290 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: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1423.848243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.848243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.848243 (E_RNA) where: Base-Base interactions energy: -889.327 where: short stacking energy: -447.306 Base-Backbone interact. energy: -1.867 local terms energy: -532.653898 where: bonds (distance) C4'-P energy: -109.556 bonds (distance) P-C4' energy: -114.047 flat angles C4'-P-C4' energy: -119.544 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -111.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1271.141303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.141303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.141303 (E_RNA) where: Base-Base interactions energy: -776.304 where: short stacking energy: -371.446 Base-Backbone interact. energy: -2.269 local terms energy: -492.568177 where: bonds (distance) C4'-P energy: -113.388 bonds (distance) P-C4' energy: -111.831 flat angles C4'-P-C4' energy: -119.870 flat angles P-C4'-P energy: -56.966 tors. eta vs tors. theta energy: -90.513 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: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1350.800976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.800976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.800976 (E_RNA) where: Base-Base interactions energy: -821.025 where: short stacking energy: -387.104 Base-Backbone interact. energy: -2.429 local terms energy: -527.346721 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -99.392 flat angles P-C4'-P energy: -74.864 tors. eta vs tors. theta energy: -109.819 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: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1068.429596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.429596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.429596 (E_RNA) where: Base-Base interactions energy: -596.482 where: short stacking energy: -299.310 Base-Backbone interact. energy: 1.277 local terms energy: -473.224885 where: bonds (distance) C4'-P energy: -113.289 bonds (distance) P-C4' energy: -97.544 flat angles C4'-P-C4' energy: -110.484 flat angles P-C4'-P energy: -79.812 tors. eta vs tors. theta energy: -72.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -923.081971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.081971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.081971 (E_RNA) where: Base-Base interactions energy: -522.396 where: short stacking energy: -279.428 Base-Backbone interact. energy: -1.894 local terms energy: -398.792888 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -94.029 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -76.406 tors. eta vs tors. theta energy: -33.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -732.147197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.147197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.147197 (E_RNA) where: Base-Base interactions energy: -374.127 where: short stacking energy: -211.067 Base-Backbone interact. energy: 9.756 local terms energy: -367.776729 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -90.181 flat angles C4'-P-C4' energy: -103.221 flat angles P-C4'-P energy: -51.663 tors. eta vs tors. theta energy: -18.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -826.645628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.645628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.645628 (E_RNA) where: Base-Base interactions energy: -438.188 where: short stacking energy: -234.280 Base-Backbone interact. energy: 3.475 local terms energy: -391.932079 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -105.510 flat angles C4'-P-C4' energy: -84.324 flat angles P-C4'-P energy: -80.221 tors. eta vs tors. theta energy: -20.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -538.455769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.455769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.455769 (E_RNA) where: Base-Base interactions energy: -212.707 where: short stacking energy: -166.291 Base-Backbone interact. energy: -1.974 local terms energy: -323.775132 where: bonds (distance) C4'-P energy: -96.058 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -86.932 flat angles P-C4'-P energy: -48.906 tors. eta vs tors. theta energy: 5.731 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: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -506.723491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.723491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.723491 (E_RNA) where: Base-Base interactions energy: -207.874 where: short stacking energy: -135.375 Base-Backbone interact. energy: -0.002 local terms energy: -298.848163 where: bonds (distance) C4'-P energy: -96.820 bonds (distance) P-C4' energy: -110.737 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -31.520 tors. eta vs tors. theta energy: 24.297 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: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1507.224516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.224516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.224516 (E_RNA) where: Base-Base interactions energy: -943.384 where: short stacking energy: -488.854 Base-Backbone interact. energy: -4.574 local terms energy: -559.267383 where: bonds (distance) C4'-P energy: -113.840 bonds (distance) P-C4' energy: -122.416 flat angles C4'-P-C4' energy: -130.829 flat angles P-C4'-P energy: -72.463 tors. eta vs tors. theta energy: -119.719 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: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1407.101543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.101543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.101543 (E_RNA) where: Base-Base interactions energy: -893.840 where: short stacking energy: -427.721 Base-Backbone interact. energy: -2.646 local terms energy: -510.615466 where: bonds (distance) C4'-P energy: -108.543 bonds (distance) P-C4' energy: -100.707 flat angles C4'-P-C4' energy: -124.499 flat angles P-C4'-P energy: -76.768 tors. eta vs tors. theta energy: -100.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1557.957859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.957859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.957859 (E_RNA) where: Base-Base interactions energy: -1010.477 where: short stacking energy: -458.290 Base-Backbone interact. energy: 0.290 local terms energy: -547.771003 where: bonds (distance) C4'-P energy: -118.041 bonds (distance) P-C4' energy: -124.788 flat angles C4'-P-C4' energy: -112.439 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -113.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1196.527772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.527772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.527772 (E_RNA) where: Base-Base interactions energy: -699.757 where: short stacking energy: -342.874 Base-Backbone interact. energy: -1.300 local terms energy: -495.470834 where: bonds (distance) C4'-P energy: -92.114 bonds (distance) P-C4' energy: -123.353 flat angles C4'-P-C4' energy: -118.008 flat angles P-C4'-P energy: -70.123 tors. eta vs tors. theta energy: -91.872 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: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1090.160102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.160102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.160102 (E_RNA) where: Base-Base interactions energy: -637.836 where: short stacking energy: -357.326 Base-Backbone interact. energy: -3.072 local terms energy: -449.251796 where: bonds (distance) C4'-P energy: -94.580 bonds (distance) P-C4' energy: -108.293 flat angles C4'-P-C4' energy: -111.471 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: -67.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -970.234077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.234077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.234077 (E_RNA) where: Base-Base interactions energy: -558.834 where: short stacking energy: -280.060 Base-Backbone interact. energy: 0.556 local terms energy: -411.956441 where: bonds (distance) C4'-P energy: -89.464 bonds (distance) P-C4' energy: -113.122 flat angles C4'-P-C4' energy: -107.737 flat angles P-C4'-P energy: -64.879 tors. eta vs tors. theta energy: -36.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -879.102356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.102356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.102356 (E_RNA) where: Base-Base interactions energy: -515.504 where: short stacking energy: -260.029 Base-Backbone interact. energy: 0.433 local terms energy: -364.030796 where: bonds (distance) C4'-P energy: -87.960 bonds (distance) P-C4' energy: -112.513 flat angles C4'-P-C4' energy: -79.190 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: -17.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -666.943039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.943039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.943039 (E_RNA) where: Base-Base interactions energy: -315.296 where: short stacking energy: -190.345 Base-Backbone interact. energy: 0.633 local terms energy: -352.279853 where: bonds (distance) C4'-P energy: -87.213 bonds (distance) P-C4' energy: -119.581 flat angles C4'-P-C4' energy: -88.613 flat angles P-C4'-P energy: -53.467 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -525.182694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.182694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.182694 (E_RNA) where: Base-Base interactions energy: -217.281 where: short stacking energy: -165.481 Base-Backbone interact. energy: 4.123 local terms energy: -312.024246 where: bonds (distance) C4'-P energy: -82.013 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: 2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -503.553778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.553778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.553778 (E_RNA) where: Base-Base interactions energy: -203.589 where: short stacking energy: -138.583 Base-Backbone interact. energy: 11.734 local terms energy: -311.698785 where: bonds (distance) C4'-P energy: -98.826 bonds (distance) P-C4' energy: -111.356 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -39.185 tors. eta vs tors. theta energy: 18.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1562.882194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.882194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.882194 (E_RNA) where: Base-Base interactions energy: -1023.075 where: short stacking energy: -490.186 Base-Backbone interact. energy: -3.182 local terms energy: -536.624821 where: bonds (distance) C4'-P energy: -112.111 bonds (distance) P-C4' energy: -107.770 flat angles C4'-P-C4' energy: -121.540 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -130.008 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: 17 Temperature: 0.950000 Total energy: -1690.271618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.271618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.271618 (E_RNA) where: Base-Base interactions energy: -1099.608 where: short stacking energy: -493.018 Base-Backbone interact. energy: -3.546 local terms energy: -587.118215 where: bonds (distance) C4'-P energy: -110.341 bonds (distance) P-C4' energy: -123.894 flat angles C4'-P-C4' energy: -132.597 flat angles P-C4'-P energy: -80.538 tors. eta vs tors. theta energy: -139.748 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: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1357.067744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.067744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.067744 (E_RNA) where: Base-Base interactions energy: -869.340 where: short stacking energy: -394.437 Base-Backbone interact. energy: 3.008 local terms energy: -490.735001 where: bonds (distance) C4'-P energy: -103.338 bonds (distance) P-C4' energy: -118.159 flat angles C4'-P-C4' energy: -120.654 flat angles P-C4'-P energy: -60.186 tors. eta vs tors. theta energy: -88.399 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: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1161.544529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.544529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.544529 (E_RNA) where: Base-Base interactions energy: -714.988 where: short stacking energy: -353.232 Base-Backbone interact. energy: 3.809 local terms energy: -450.365067 where: bonds (distance) C4'-P energy: -106.931 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -106.138 flat angles P-C4'-P energy: -61.307 tors. eta vs tors. theta energy: -57.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1134.487748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.487748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.487748 (E_RNA) where: Base-Base interactions energy: -657.111 where: short stacking energy: -358.303 Base-Backbone interact. energy: -2.181 local terms energy: -475.196364 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -113.404 flat angles C4'-P-C4' energy: -114.319 flat angles P-C4'-P energy: -69.459 tors. eta vs tors. theta energy: -83.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -969.554246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.554246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.554246 (E_RNA) where: Base-Base interactions energy: -564.176 where: short stacking energy: -285.247 Base-Backbone interact. energy: -4.767 local terms energy: -400.611287 where: bonds (distance) C4'-P energy: -94.921 bonds (distance) P-C4' energy: -110.411 flat angles C4'-P-C4' energy: -97.021 flat angles P-C4'-P energy: -64.688 tors. eta vs tors. theta energy: -33.570 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: 17 Temperature: 1.200000 Total energy: -856.213419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.213419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.213419 (E_RNA) where: Base-Base interactions energy: -465.548 where: short stacking energy: -228.862 Base-Backbone interact. energy: -1.304 local terms energy: -389.360877 where: bonds (distance) C4'-P energy: -99.389 bonds (distance) P-C4' energy: -108.769 flat angles C4'-P-C4' energy: -90.902 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -26.670 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: 8, replica: 3 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -687.316220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.316220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.316220 (E_RNA) where: Base-Base interactions energy: -335.930 where: short stacking energy: -199.244 Base-Backbone interact. energy: 2.722 local terms energy: -354.107991 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -94.137 flat angles C4'-P-C4' energy: -91.660 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -496.446108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.446108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.446108 (E_RNA) where: Base-Base interactions energy: -193.333 where: short stacking energy: -150.774 Base-Backbone interact. energy: 1.603 local terms energy: -304.715651 where: bonds (distance) C4'-P energy: -100.500 bonds (distance) P-C4' energy: -97.641 flat angles C4'-P-C4' energy: -91.183 flat angles P-C4'-P energy: -35.564 tors. eta vs tors. theta energy: 20.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -482.213494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.213494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.213494 (E_RNA) where: Base-Base interactions energy: -187.503 where: short stacking energy: -112.235 Base-Backbone interact. energy: -3.156 local terms energy: -291.555130 where: bonds (distance) C4'-P energy: -109.376 bonds (distance) P-C4' energy: -100.875 flat angles C4'-P-C4' energy: -79.338 flat angles P-C4'-P energy: -40.749 tors. eta vs tors. theta energy: 38.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1709.175200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.175200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.175200 (E_RNA) where: Base-Base interactions energy: -1114.228 where: short stacking energy: -518.218 Base-Backbone interact. energy: -1.732 local terms energy: -593.215319 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -113.731 flat angles C4'-P-C4' energy: -123.914 flat angles P-C4'-P energy: -94.919 tors. eta vs tors. theta energy: -142.618 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: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1476.509611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.509611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.509611 (E_RNA) where: Base-Base interactions energy: -903.447 where: short stacking energy: -445.844 Base-Backbone interact. energy: -3.507 local terms energy: -569.554787 where: bonds (distance) C4'-P energy: -122.011 bonds (distance) P-C4' energy: -129.453 flat angles C4'-P-C4' energy: -124.841 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: -116.188 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: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1349.879922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.879922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.879922 (E_RNA) where: Base-Base interactions energy: -824.507 where: short stacking energy: -388.163 Base-Backbone interact. energy: -3.410 local terms energy: -521.963685 where: bonds (distance) C4'-P energy: -100.128 bonds (distance) P-C4' energy: -118.777 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -85.970 tors. eta vs tors. theta energy: -89.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1221.870291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.870291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.870291 (E_RNA) where: Base-Base interactions energy: -738.096 where: short stacking energy: -365.006 Base-Backbone interact. energy: 1.243 local terms energy: -485.017448 where: bonds (distance) C4'-P energy: -93.510 bonds (distance) P-C4' energy: -110.486 flat angles C4'-P-C4' energy: -123.457 flat angles P-C4'-P energy: -76.108 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1171.146384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.146384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.146384 (E_RNA) where: Base-Base interactions energy: -712.870 where: short stacking energy: -346.522 Base-Backbone interact. energy: -1.331 local terms energy: -456.946111 where: bonds (distance) C4'-P energy: -91.462 bonds (distance) P-C4' energy: -102.665 flat angles C4'-P-C4' energy: -122.874 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -79.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -994.225273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.225273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.225273 (E_RNA) where: Base-Base interactions energy: -575.716 where: short stacking energy: -310.616 Base-Backbone interact. energy: 1.311 local terms energy: -419.819608 where: bonds (distance) C4'-P energy: -111.619 bonds (distance) P-C4' energy: -116.889 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -50.620 tors. eta vs tors. theta energy: -35.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -850.823779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.823779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.823779 (E_RNA) where: Base-Base interactions energy: -475.928 where: short stacking energy: -260.898 Base-Backbone interact. energy: -1.432 local terms energy: -373.462865 where: bonds (distance) C4'-P energy: -96.007 bonds (distance) P-C4' energy: -105.896 flat angles C4'-P-C4' energy: -97.020 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -26.938 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: 8, replica: 3 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -767.958533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.958533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.958533 (E_RNA) where: Base-Base interactions energy: -433.305 where: short stacking energy: -245.992 Base-Backbone interact. energy: 3.772 local terms energy: -338.425410 where: bonds (distance) C4'-P energy: -70.528 bonds (distance) P-C4' energy: -118.765 flat angles C4'-P-C4' energy: -91.711 flat angles P-C4'-P energy: -37.851 tors. eta vs tors. theta energy: -19.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -489.596950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.596950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.596950 (E_RNA) where: Base-Base interactions energy: -166.099 where: short stacking energy: -142.954 Base-Backbone interact. energy: -1.297 local terms energy: -322.200840 where: bonds (distance) C4'-P energy: -87.011 bonds (distance) P-C4' energy: -117.483 flat angles C4'-P-C4' energy: -64.809 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: 7.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -498.272841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.272841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.272841 (E_RNA) where: Base-Base interactions energy: -188.823 where: short stacking energy: -142.285 Base-Backbone interact. energy: -3.827 local terms energy: -305.623043 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -92.157 flat angles C4'-P-C4' energy: -88.486 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: 3.701 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: 1, replica: 9 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1777.562864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.562864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.562864 (E_RNA) where: Base-Base interactions energy: -1175.010 where: short stacking energy: -508.905 Base-Backbone interact. energy: -3.669 local terms energy: -598.883960 where: bonds (distance) C4'-P energy: -116.085 bonds (distance) P-C4' energy: -119.943 flat angles C4'-P-C4' energy: -124.344 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -149.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1467.263193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.263193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.263193 (E_RNA) where: Base-Base interactions energy: -889.697 where: short stacking energy: -493.548 Base-Backbone interact. energy: 3.817 local terms energy: -581.383099 where: bonds (distance) C4'-P energy: -124.201 bonds (distance) P-C4' energy: -121.469 flat angles C4'-P-C4' energy: -131.021 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: -134.546 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: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1318.306643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.306643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.306643 (E_RNA) where: Base-Base interactions energy: -837.374 where: short stacking energy: -397.542 Base-Backbone interact. energy: -2.631 local terms energy: -478.301330 where: bonds (distance) C4'-P energy: -104.859 bonds (distance) P-C4' energy: -101.558 flat angles C4'-P-C4' energy: -114.837 flat angles P-C4'-P energy: -72.214 tors. eta vs tors. theta energy: -84.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1231.250566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.250566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.250566 (E_RNA) where: Base-Base interactions energy: -729.582 where: short stacking energy: -373.075 Base-Backbone interact. energy: -1.106 local terms energy: -500.562435 where: bonds (distance) C4'-P energy: -108.686 bonds (distance) P-C4' energy: -117.213 flat angles C4'-P-C4' energy: -122.965 flat angles P-C4'-P energy: -76.588 tors. eta vs tors. theta energy: -75.111 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: 7 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1264.832515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.832515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.832515 (E_RNA) where: Base-Base interactions energy: -793.788 where: short stacking energy: -414.051 Base-Backbone interact. energy: -1.929 local terms energy: -469.115435 where: bonds (distance) C4'-P energy: -88.980 bonds (distance) P-C4' energy: -101.893 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -84.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1136.144982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.144982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.144982 (E_RNA) where: Base-Base interactions energy: -722.133 where: short stacking energy: -343.723 Base-Backbone interact. energy: 0.965 local terms energy: -414.977249 where: bonds (distance) C4'-P energy: -89.565 bonds (distance) P-C4' energy: -91.871 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: -64.901 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: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -820.259370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.259370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.259370 (E_RNA) where: Base-Base interactions energy: -456.208 where: short stacking energy: -279.644 Base-Backbone interact. energy: 0.846 local terms energy: -364.896733 where: bonds (distance) C4'-P energy: -91.328 bonds (distance) P-C4' energy: -94.867 flat angles C4'-P-C4' energy: -79.902 flat angles P-C4'-P energy: -53.049 tors. eta vs tors. theta energy: -45.751 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: 3 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -858.928591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.928591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.928591 (E_RNA) where: Base-Base interactions energy: -501.128 where: short stacking energy: -241.846 Base-Backbone interact. energy: -1.456 local terms energy: -356.344590 where: bonds (distance) C4'-P energy: -106.144 bonds (distance) P-C4' energy: -94.535 flat angles C4'-P-C4' energy: -84.780 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -23.181 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: 9, replica: 5 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -529.115859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.115859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.115859 (E_RNA) where: Base-Base interactions energy: -205.119 where: short stacking energy: -141.440 Base-Backbone interact. energy: -0.464 local terms energy: -323.532988 where: bonds (distance) C4'-P energy: -97.010 bonds (distance) P-C4' energy: -115.882 flat angles C4'-P-C4' energy: -65.791 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: 10.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -509.127770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.127770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.127770 (E_RNA) where: Base-Base interactions energy: -196.214 where: short stacking energy: -115.283 Base-Backbone interact. energy: 0.540 local terms energy: -313.453600 where: bonds (distance) C4'-P energy: -99.509 bonds (distance) P-C4' energy: -100.317 flat angles C4'-P-C4' energy: -96.435 flat angles P-C4'-P energy: -40.274 tors. eta vs tors. theta energy: 23.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1792.881801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.881801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.881801 (E_RNA) where: Base-Base interactions energy: -1185.960 where: short stacking energy: -514.102 Base-Backbone interact. energy: 1.192 local terms energy: -608.113387 where: bonds (distance) C4'-P energy: -118.166 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -132.253 flat angles P-C4'-P energy: -81.767 tors. eta vs tors. theta energy: -148.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1476.600719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.600719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.600719 (E_RNA) where: Base-Base interactions energy: -920.958 where: short stacking energy: -453.839 Base-Backbone interact. energy: -2.748 local terms energy: -552.894747 where: bonds (distance) C4'-P energy: -110.846 bonds (distance) P-C4' energy: -126.699 flat angles C4'-P-C4' energy: -134.857 flat angles P-C4'-P energy: -73.467 tors. eta vs tors. theta energy: -107.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1406.692465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.692465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.692465 (E_RNA) where: Base-Base interactions energy: -867.276 where: short stacking energy: -406.980 Base-Backbone interact. energy: -2.783 local terms energy: -536.633219 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -120.107 flat angles C4'-P-C4' energy: -131.932 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -105.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1273.871776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.871776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.871776 (E_RNA) where: Base-Base interactions energy: -801.693 where: short stacking energy: -392.773 Base-Backbone interact. energy: -2.504 local terms energy: -469.674045 where: bonds (distance) C4'-P energy: -103.322 bonds (distance) P-C4' energy: -112.347 flat angles C4'-P-C4' energy: -116.951 flat angles P-C4'-P energy: -59.801 tors. eta vs tors. theta energy: -77.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1211.983507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.983507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.983507 (E_RNA) where: Base-Base interactions energy: -728.008 where: short stacking energy: -337.957 Base-Backbone interact. energy: -2.411 local terms energy: -481.565340 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -113.055 flat angles C4'-P-C4' energy: -115.894 flat angles P-C4'-P energy: -74.249 tors. eta vs tors. theta energy: -78.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1150.454359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.454359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.454359 (E_RNA) where: Base-Base interactions energy: -691.024 where: short stacking energy: -342.495 Base-Backbone interact. energy: -1.333 local terms energy: -458.096906 where: bonds (distance) C4'-P energy: -97.521 bonds (distance) P-C4' energy: -93.324 flat angles C4'-P-C4' energy: -110.604 flat angles P-C4'-P energy: -81.292 tors. eta vs tors. theta energy: -75.356 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: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -927.125563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.125563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.125563 (E_RNA) where: Base-Base interactions energy: -523.936 where: short stacking energy: -277.451 Base-Backbone interact. energy: 2.604 local terms energy: -405.792888 where: bonds (distance) C4'-P energy: -103.872 bonds (distance) P-C4' energy: -117.728 flat angles C4'-P-C4' energy: -115.609 flat angles P-C4'-P energy: -38.127 tors. eta vs tors. theta energy: -30.458 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: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -743.854021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.854021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.854021 (E_RNA) where: Base-Base interactions energy: -397.592 where: short stacking energy: -224.035 Base-Backbone interact. energy: 3.756 local terms energy: -350.017438 where: bonds (distance) C4'-P energy: -114.009 bonds (distance) P-C4' energy: -98.929 flat angles C4'-P-C4' energy: -68.667 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -28.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -504.499244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.499244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.499244 (E_RNA) where: Base-Base interactions energy: -206.323 where: short stacking energy: -145.470 Base-Backbone interact. energy: 1.395 local terms energy: -299.571154 where: bonds (distance) C4'-P energy: -89.005 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -75.519 flat angles P-C4'-P energy: -55.474 tors. eta vs tors. theta energy: 11.365 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: 5 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -465.061228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.061228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.061228 (E_RNA) where: Base-Base interactions energy: -137.654 where: short stacking energy: -89.116 Base-Backbone interact. energy: 6.740 local terms energy: -334.146726 where: bonds (distance) C4'-P energy: -95.707 bonds (distance) P-C4' energy: -117.904 flat angles C4'-P-C4' energy: -97.740 flat angles P-C4'-P energy: -54.066 tors. eta vs tors. theta energy: 31.270 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: 9 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1823.710204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.710204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.710204 (E_RNA) where: Base-Base interactions energy: -1228.442 where: short stacking energy: -542.600 Base-Backbone interact. energy: -4.703 local terms energy: -590.565613 where: bonds (distance) C4'-P energy: -108.908 bonds (distance) P-C4' energy: -117.321 flat angles C4'-P-C4' energy: -129.854 flat angles P-C4'-P energy: -80.436 tors. eta vs tors. theta energy: -154.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1478.435333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.435333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.435333 (E_RNA) where: Base-Base interactions energy: -931.090 where: short stacking energy: -423.311 Base-Backbone interact. energy: -4.100 local terms energy: -543.245442 where: bonds (distance) C4'-P energy: -112.513 bonds (distance) P-C4' energy: -122.971 flat angles C4'-P-C4' energy: -118.367 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -100.671 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: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1446.940567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.940567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.940567 (E_RNA) where: Base-Base interactions energy: -947.474 where: short stacking energy: -427.151 Base-Backbone interact. energy: -3.673 local terms energy: -495.793586 where: bonds (distance) C4'-P energy: -107.906 bonds (distance) P-C4' energy: -106.848 flat angles C4'-P-C4' energy: -115.032 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -87.960 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: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1282.272484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.272484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.272484 (E_RNA) where: Base-Base interactions energy: -807.747 where: short stacking energy: -395.878 Base-Backbone interact. energy: 0.847 local terms energy: -475.372439 where: bonds (distance) C4'-P energy: -104.433 bonds (distance) P-C4' energy: -106.904 flat angles C4'-P-C4' energy: -113.822 flat angles P-C4'-P energy: -72.708 tors. eta vs tors. theta energy: -77.506 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: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1158.477062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.477062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.477062 (E_RNA) where: Base-Base interactions energy: -716.487 where: short stacking energy: -336.165 Base-Backbone interact. energy: -0.815 local terms energy: -441.175134 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -108.837 flat angles C4'-P-C4' energy: -119.266 flat angles P-C4'-P energy: -68.663 tors. eta vs tors. theta energy: -58.292 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: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1232.003689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.003689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.003689 (E_RNA) where: Base-Base interactions energy: -754.765 where: short stacking energy: -390.054 Base-Backbone interact. energy: 0.164 local terms energy: -477.402241 where: bonds (distance) C4'-P energy: -90.443 bonds (distance) P-C4' energy: -107.102 flat angles C4'-P-C4' energy: -110.252 flat angles P-C4'-P energy: -75.454 tors. eta vs tors. theta energy: -94.152 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: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -924.614187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.614187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.614187 (E_RNA) where: Base-Base interactions energy: -526.513 where: short stacking energy: -277.298 Base-Backbone interact. energy: -0.848 local terms energy: -397.252827 where: bonds (distance) C4'-P energy: -87.413 bonds (distance) P-C4' energy: -99.595 flat angles C4'-P-C4' energy: -111.072 flat angles P-C4'-P energy: -56.816 tors. eta vs tors. theta energy: -42.357 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: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -761.067180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.067180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.067180 (E_RNA) where: Base-Base interactions energy: -395.148 where: short stacking energy: -215.216 Base-Backbone interact. energy: -0.864 local terms energy: -365.055556 where: bonds (distance) C4'-P energy: -99.185 bonds (distance) P-C4' energy: -106.573 flat angles C4'-P-C4' energy: -97.065 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -30.198 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -499.773526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.773526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.773526 (E_RNA) where: Base-Base interactions energy: -203.920 where: short stacking energy: -155.047 Base-Backbone interact. energy: -2.379 local terms energy: -293.474022 where: bonds (distance) C4'-P energy: -75.216 bonds (distance) P-C4' energy: -119.556 flat angles C4'-P-C4' energy: -76.240 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: 18.143 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: 5 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -470.229771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.229771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.229771 (E_RNA) where: Base-Base interactions energy: -178.702 where: short stacking energy: -134.872 Base-Backbone interact. energy: -0.978 local terms energy: -290.549382 where: bonds (distance) C4'-P energy: -102.497 bonds (distance) P-C4' energy: -113.736 flat angles C4'-P-C4' energy: -52.185 flat angles P-C4'-P energy: -47.189 tors. eta vs tors. theta energy: 25.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1804.377369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.377369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.377369 (E_RNA) where: Base-Base interactions energy: -1186.733 where: short stacking energy: -528.652 Base-Backbone interact. energy: -2.485 local terms energy: -615.159270 where: bonds (distance) C4'-P energy: -113.159 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -139.625 flat angles P-C4'-P energy: -88.826 tors. eta vs tors. theta energy: -138.034 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: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1471.169878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.169878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.169878 (E_RNA) where: Base-Base interactions energy: -925.719 where: short stacking energy: -443.065 Base-Backbone interact. energy: -2.224 local terms energy: -543.227170 where: bonds (distance) C4'-P energy: -106.116 bonds (distance) P-C4' energy: -117.334 flat angles C4'-P-C4' energy: -128.130 flat angles P-C4'-P energy: -76.800 tors. eta vs tors. theta energy: -114.847 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: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1506.551677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.551677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.551677 (E_RNA) where: Base-Base interactions energy: -1002.384 where: short stacking energy: -455.611 Base-Backbone interact. energy: -3.579 local terms energy: -500.589206 where: bonds (distance) C4'-P energy: -99.856 bonds (distance) P-C4' energy: -103.616 flat angles C4'-P-C4' energy: -109.375 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -113.244 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: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1305.061768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.061768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.061768 (E_RNA) where: Base-Base interactions energy: -803.222 where: short stacking energy: -399.276 Base-Backbone interact. energy: -1.466 local terms energy: -500.374039 where: bonds (distance) C4'-P energy: -108.430 bonds (distance) P-C4' energy: -118.774 flat angles C4'-P-C4' energy: -118.374 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -79.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1339.217172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.217172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.217172 (E_RNA) where: Base-Base interactions energy: -842.272 where: short stacking energy: -396.899 Base-Backbone interact. energy: -3.203 local terms energy: -493.742595 where: bonds (distance) C4'-P energy: -96.228 bonds (distance) P-C4' energy: -107.779 flat angles C4'-P-C4' energy: -124.778 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -89.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1088.690673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.690673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.690673 (E_RNA) where: Base-Base interactions energy: -634.969 where: short stacking energy: -322.388 Base-Backbone interact. energy: 0.106 local terms energy: -453.827421 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -115.251 flat angles C4'-P-C4' energy: -114.295 flat angles P-C4'-P energy: -56.726 tors. eta vs tors. theta energy: -67.253 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: 22 Temperature: 1.200000 Total energy: -861.121131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.121131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.121131 (E_RNA) where: Base-Base interactions energy: -442.227 where: short stacking energy: -269.012 Base-Backbone interact. energy: -0.022 local terms energy: -418.872177 where: bonds (distance) C4'-P energy: -105.773 bonds (distance) P-C4' energy: -102.290 flat angles C4'-P-C4' energy: -108.458 flat angles P-C4'-P energy: -59.001 tors. eta vs tors. theta energy: -43.350 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: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -796.551836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.551836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.551836 (E_RNA) where: Base-Base interactions energy: -441.968 where: short stacking energy: -224.667 Base-Backbone interact. energy: -2.202 local terms energy: -352.381496 where: bonds (distance) C4'-P energy: -104.178 bonds (distance) P-C4' energy: -88.212 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -46.749 tors. eta vs tors. theta energy: -20.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -506.503750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.503750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.503750 (E_RNA) where: Base-Base interactions energy: -164.550 where: short stacking energy: -121.369 Base-Backbone interact. energy: 3.683 local terms energy: -345.636927 where: bonds (distance) C4'-P energy: -108.463 bonds (distance) P-C4' energy: -103.604 flat angles C4'-P-C4' energy: -85.094 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: 25.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -456.406632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.406632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.406632 (E_RNA) where: Base-Base interactions energy: -161.968 where: short stacking energy: -133.185 Base-Backbone interact. energy: -3.780 local terms energy: -290.658930 where: bonds (distance) C4'-P energy: -93.022 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -79.969 flat angles P-C4'-P energy: -44.908 tors. eta vs tors. theta energy: 18.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1814.532303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.532303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.532303 (E_RNA) where: Base-Base interactions energy: -1222.407 where: short stacking energy: -539.547 Base-Backbone interact. energy: -5.674 local terms energy: -586.451273 where: bonds (distance) C4'-P energy: -120.380 bonds (distance) P-C4' energy: -106.978 flat angles C4'-P-C4' energy: -117.885 flat angles P-C4'-P energy: -90.928 tors. eta vs tors. theta energy: -150.279 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: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1574.905302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.905302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.905302 (E_RNA) where: Base-Base interactions energy: -1039.075 where: short stacking energy: -465.054 Base-Backbone interact. energy: -4.030 local terms energy: -531.799790 where: bonds (distance) C4'-P energy: -112.985 bonds (distance) P-C4' energy: -114.888 flat angles C4'-P-C4' energy: -108.278 flat angles P-C4'-P energy: -81.626 tors. eta vs tors. theta energy: -114.023 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1450.352910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.352910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.352910 (E_RNA) where: Base-Base interactions energy: -915.978 where: short stacking energy: -419.401 Base-Backbone interact. energy: -2.097 local terms energy: -532.278435 where: bonds (distance) C4'-P energy: -118.861 bonds (distance) P-C4' energy: -112.513 flat angles C4'-P-C4' energy: -125.986 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -112.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1473.893514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.893514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.893514 (E_RNA) where: Base-Base interactions energy: -948.454 where: short stacking energy: -451.040 Base-Backbone interact. energy: -0.441 local terms energy: -524.998118 where: bonds (distance) C4'-P energy: -99.699 bonds (distance) P-C4' energy: -120.789 flat angles C4'-P-C4' energy: -108.758 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -115.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1201.231694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.231694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.231694 (E_RNA) where: Base-Base interactions energy: -756.629 where: short stacking energy: -332.868 Base-Backbone interact. energy: -0.592 local terms energy: -444.010311 where: bonds (distance) C4'-P energy: -121.060 bonds (distance) P-C4' energy: -110.746 flat angles C4'-P-C4' energy: -103.541 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -60.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1053.070810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.070810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.070810 (E_RNA) where: Base-Base interactions energy: -601.957 where: short stacking energy: -303.757 Base-Backbone interact. energy: -1.251 local terms energy: -449.862956 where: bonds (distance) C4'-P energy: -94.968 bonds (distance) P-C4' energy: -117.180 flat angles C4'-P-C4' energy: -106.899 flat angles P-C4'-P energy: -66.237 tors. eta vs tors. theta energy: -64.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -844.748588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.748588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.748588 (E_RNA) where: Base-Base interactions energy: -420.115 where: short stacking energy: -248.060 Base-Backbone interact. energy: -1.402 local terms energy: -423.231401 where: bonds (distance) C4'-P energy: -99.060 bonds (distance) P-C4' energy: -101.710 flat angles C4'-P-C4' energy: -103.134 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -41.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -688.436736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.436736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.436736 (E_RNA) where: Base-Base interactions energy: -335.577 where: short stacking energy: -213.837 Base-Backbone interact. energy: -0.359 local terms energy: -352.500210 where: bonds (distance) C4'-P energy: -91.453 bonds (distance) P-C4' energy: -90.918 flat angles C4'-P-C4' energy: -87.110 flat angles P-C4'-P energy: -65.693 tors. eta vs tors. theta energy: -17.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -491.625213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.625213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.625213 (E_RNA) where: Base-Base interactions energy: -173.391 where: short stacking energy: -142.762 Base-Backbone interact. energy: 5.500 local terms energy: -323.734560 where: bonds (distance) C4'-P energy: -103.120 bonds (distance) P-C4' energy: -102.083 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -63.315 tors. eta vs tors. theta energy: 17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -543.800041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.800041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.800041 (E_RNA) where: Base-Base interactions energy: -238.061 where: short stacking energy: -170.320 Base-Backbone interact. energy: 3.451 local terms energy: -309.189554 where: bonds (distance) C4'-P energy: -101.531 bonds (distance) P-C4' energy: -89.543 flat angles C4'-P-C4' energy: -72.641 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1862.736434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.736434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.736434 (E_RNA) where: Base-Base interactions energy: -1257.627 where: short stacking energy: -531.756 Base-Backbone interact. energy: -4.722 local terms energy: -600.388127 where: bonds (distance) C4'-P energy: -115.081 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -133.380 flat angles P-C4'-P energy: -72.010 tors. eta vs tors. theta energy: -158.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1569.089950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.089950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.089950 (E_RNA) where: Base-Base interactions energy: -1017.967 where: short stacking energy: -449.487 Base-Backbone interact. energy: -3.968 local terms energy: -547.155020 where: bonds (distance) C4'-P energy: -111.747 bonds (distance) P-C4' energy: -111.148 flat angles C4'-P-C4' energy: -130.524 flat angles P-C4'-P energy: -79.635 tors. eta vs tors. theta energy: -114.101 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1519.355508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.355508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.355508 (E_RNA) where: Base-Base interactions energy: -1005.915 where: short stacking energy: -481.528 Base-Backbone interact. energy: 1.300 local terms energy: -514.740240 where: bonds (distance) C4'-P energy: -99.925 bonds (distance) P-C4' energy: -95.236 flat angles C4'-P-C4' energy: -120.221 flat angles P-C4'-P energy: -68.059 tors. eta vs tors. theta energy: -131.299 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: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1358.963166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.963166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.963166 (E_RNA) where: Base-Base interactions energy: -857.345 where: short stacking energy: -404.205 Base-Backbone interact. energy: -5.260 local terms energy: -496.358279 where: bonds (distance) C4'-P energy: -89.105 bonds (distance) P-C4' energy: -131.571 flat angles C4'-P-C4' energy: -125.116 flat angles P-C4'-P energy: -60.719 tors. eta vs tors. theta energy: -89.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1130.957880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.957880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.957880 (E_RNA) where: Base-Base interactions energy: -695.110 where: short stacking energy: -328.359 Base-Backbone interact. energy: 0.857 local terms energy: -436.705054 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -105.659 flat angles C4'-P-C4' energy: -105.849 flat angles P-C4'-P energy: -70.847 tors. eta vs tors. theta energy: -59.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1050.958131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.958131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.958131 (E_RNA) where: Base-Base interactions energy: -617.992 where: short stacking energy: -305.813 Base-Backbone interact. energy: 7.553 local terms energy: -440.518311 where: bonds (distance) C4'-P energy: -100.500 bonds (distance) P-C4' energy: -107.281 flat angles C4'-P-C4' energy: -107.934 flat angles P-C4'-P energy: -70.995 tors. eta vs tors. theta energy: -53.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -856.021606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.021606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.021606 (E_RNA) where: Base-Base interactions energy: -478.008 where: short stacking energy: -241.117 Base-Backbone interact. energy: -3.208 local terms energy: -374.804701 where: bonds (distance) C4'-P energy: -102.743 bonds (distance) P-C4' energy: -109.438 flat angles C4'-P-C4' energy: -101.026 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -16.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -664.653316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.653316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.653316 (E_RNA) where: Base-Base interactions energy: -303.161 where: short stacking energy: -193.826 Base-Backbone interact. energy: 1.959 local terms energy: -363.450920 where: bonds (distance) C4'-P energy: -86.369 bonds (distance) P-C4' energy: -114.729 flat angles C4'-P-C4' energy: -96.967 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -510.819825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.819825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.819825 (E_RNA) where: Base-Base interactions energy: -211.257 where: short stacking energy: -150.699 Base-Backbone interact. energy: -3.828 local terms energy: -295.735461 where: bonds (distance) C4'-P energy: -101.626 bonds (distance) P-C4' energy: -98.036 flat angles C4'-P-C4' energy: -69.061 flat angles P-C4'-P energy: -45.196 tors. eta vs tors. theta energy: 18.184 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: 24 Temperature: 1.350000 Total energy: -555.431157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.431157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.431157 (E_RNA) where: Base-Base interactions energy: -231.742 where: short stacking energy: -169.660 Base-Backbone interact. energy: -0.978 local terms energy: -322.710922 where: bonds (distance) C4'-P energy: -102.624 bonds (distance) P-C4' energy: -109.778 flat angles C4'-P-C4' energy: -79.085 flat angles P-C4'-P energy: -39.059 tors. eta vs tors. theta energy: 7.836 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: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1820.211149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.211149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.211149 (E_RNA) where: Base-Base interactions energy: -1200.085 where: short stacking energy: -517.442 Base-Backbone interact. energy: -5.411 local terms energy: -614.715145 where: bonds (distance) C4'-P energy: -109.055 bonds (distance) P-C4' energy: -125.480 flat angles C4'-P-C4' energy: -127.552 flat angles P-C4'-P energy: -99.958 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: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1591.319365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.319365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.319365 (E_RNA) where: Base-Base interactions energy: -1053.793 where: short stacking energy: -476.771 Base-Backbone interact. energy: 5.317 local terms energy: -542.843426 where: bonds (distance) C4'-P energy: -107.211 bonds (distance) P-C4' energy: -115.410 flat angles C4'-P-C4' energy: -116.201 flat angles P-C4'-P energy: -79.226 tors. eta vs tors. theta energy: -124.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1571.505469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.505469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.505469 (E_RNA) where: Base-Base interactions energy: -1011.020 where: short stacking energy: -463.187 Base-Backbone interact. energy: -0.905 local terms energy: -559.580413 where: bonds (distance) C4'-P energy: -108.867 bonds (distance) P-C4' energy: -114.638 flat angles C4'-P-C4' energy: -125.173 flat angles P-C4'-P energy: -81.607 tors. eta vs tors. theta energy: -129.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1344.840884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.840884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.840884 (E_RNA) where: Base-Base interactions energy: -822.039 where: short stacking energy: -406.653 Base-Backbone interact. energy: -2.920 local terms energy: -519.881985 where: bonds (distance) C4'-P energy: -123.870 bonds (distance) P-C4' energy: -100.458 flat angles C4'-P-C4' energy: -118.283 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -105.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1105.088911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.088911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.088911 (E_RNA) where: Base-Base interactions energy: -661.700 where: short stacking energy: -327.295 Base-Backbone interact. energy: -1.193 local terms energy: -442.195702 where: bonds (distance) C4'-P energy: -97.415 bonds (distance) P-C4' energy: -95.822 flat angles C4'-P-C4' energy: -108.820 flat angles P-C4'-P energy: -80.940 tors. eta vs tors. theta energy: -59.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1085.687719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.687719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.687719 (E_RNA) where: Base-Base interactions energy: -661.328 where: short stacking energy: -334.537 Base-Backbone interact. energy: -0.098 local terms energy: -424.261960 where: bonds (distance) C4'-P energy: -89.931 bonds (distance) P-C4' energy: -100.109 flat angles C4'-P-C4' energy: -101.744 flat angles P-C4'-P energy: -69.025 tors. eta vs tors. theta energy: -63.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -821.638173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.638173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.638173 (E_RNA) where: Base-Base interactions energy: -454.515 where: short stacking energy: -233.022 Base-Backbone interact. energy: -0.955 local terms energy: -366.167866 where: bonds (distance) C4'-P energy: -97.226 bonds (distance) P-C4' energy: -103.776 flat angles C4'-P-C4' energy: -90.269 flat angles P-C4'-P energy: -72.495 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: 8, replica: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -749.613980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.613980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.613980 (E_RNA) where: Base-Base interactions energy: -399.021 where: short stacking energy: -211.643 Base-Backbone interact. energy: 4.775 local terms energy: -355.367298 where: bonds (distance) C4'-P energy: -103.088 bonds (distance) P-C4' energy: -88.657 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -16.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -552.192759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.192759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.192759 (E_RNA) where: Base-Base interactions energy: -246.907 where: short stacking energy: -187.742 Base-Backbone interact. energy: -0.867 local terms energy: -304.418815 where: bonds (distance) C4'-P energy: -105.525 bonds (distance) P-C4' energy: -101.161 flat angles C4'-P-C4' energy: -73.229 flat angles P-C4'-P energy: -17.635 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -523.180020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.180020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.180020 (E_RNA) where: Base-Base interactions energy: -191.637 where: short stacking energy: -146.988 Base-Backbone interact. energy: 1.025 local terms energy: -332.567534 where: bonds (distance) C4'-P energy: -81.985 bonds (distance) P-C4' energy: -103.275 flat angles C4'-P-C4' energy: -90.671 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1866.178193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.178193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.178193 (E_RNA) where: Base-Base interactions energy: -1244.423 where: short stacking energy: -553.573 Base-Backbone interact. energy: -3.330 local terms energy: -618.425529 where: bonds (distance) C4'-P energy: -112.847 bonds (distance) P-C4' energy: -121.613 flat angles C4'-P-C4' energy: -131.361 flat angles P-C4'-P energy: -87.126 tors. eta vs tors. theta energy: -165.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1644.503831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.503831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.503831 (E_RNA) where: Base-Base interactions energy: -1090.282 where: short stacking energy: -464.898 Base-Backbone interact. energy: -6.957 local terms energy: -547.264246 where: bonds (distance) C4'-P energy: -105.841 bonds (distance) P-C4' energy: -118.908 flat angles C4'-P-C4' energy: -134.291 flat angles P-C4'-P energy: -66.321 tors. eta vs tors. theta energy: -121.903 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: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1593.226765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.226765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.226765 (E_RNA) where: Base-Base interactions energy: -1016.613 where: short stacking energy: -476.374 Base-Backbone interact. energy: -1.191 local terms energy: -575.422848 where: bonds (distance) C4'-P energy: -108.949 bonds (distance) P-C4' energy: -113.624 flat angles C4'-P-C4' energy: -129.563 flat angles P-C4'-P energy: -87.591 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1270.360432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.360432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.360432 (E_RNA) where: Base-Base interactions energy: -778.044 where: short stacking energy: -375.110 Base-Backbone interact. energy: -3.476 local terms energy: -488.839896 where: bonds (distance) C4'-P energy: -92.479 bonds (distance) P-C4' energy: -111.650 flat angles C4'-P-C4' energy: -111.367 flat angles P-C4'-P energy: -90.177 tors. eta vs tors. theta energy: -83.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1132.584495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.584495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.584495 (E_RNA) where: Base-Base interactions energy: -680.702 where: short stacking energy: -337.010 Base-Backbone interact. energy: 1.172 local terms energy: -453.054366 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -104.035 flat angles P-C4'-P energy: -68.054 tors. eta vs tors. theta energy: -68.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1091.782711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.782711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.782711 (E_RNA) where: Base-Base interactions energy: -665.327 where: short stacking energy: -301.184 Base-Backbone interact. energy: -1.984 local terms energy: -424.471534 where: bonds (distance) C4'-P energy: -92.222 bonds (distance) P-C4' energy: -109.715 flat angles C4'-P-C4' energy: -107.963 flat angles P-C4'-P energy: -57.135 tors. eta vs tors. theta energy: -57.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -826.346313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.346313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.346313 (E_RNA) where: Base-Base interactions energy: -453.487 where: short stacking energy: -245.044 Base-Backbone interact. energy: 2.518 local terms energy: -375.377281 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -112.060 flat angles C4'-P-C4' energy: -88.976 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -33.288 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: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -774.787371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.787371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.787371 (E_RNA) where: Base-Base interactions energy: -375.295 where: short stacking energy: -209.353 Base-Backbone interact. energy: 0.402 local terms energy: -399.894569 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -120.146 flat angles C4'-P-C4' energy: -88.032 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -32.934 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: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -553.808613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.808613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.808613 (E_RNA) where: Base-Base interactions energy: -220.518 where: short stacking energy: -140.908 Base-Backbone interact. energy: 2.229 local terms energy: -335.519358 where: bonds (distance) C4'-P energy: -90.469 bonds (distance) P-C4' energy: -105.210 flat angles C4'-P-C4' energy: -86.551 flat angles P-C4'-P energy: -63.990 tors. eta vs tors. theta energy: 10.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -523.628164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.628164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.628164 (E_RNA) where: Base-Base interactions energy: -236.341 where: short stacking energy: -137.412 Base-Backbone interact. energy: -2.554 local terms energy: -284.732611 where: bonds (distance) C4'-P energy: -106.741 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -51.062 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: 22.501 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: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1870.158831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.158831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.158831 (E_RNA) where: Base-Base interactions energy: -1243.868 where: short stacking energy: -528.756 Base-Backbone interact. energy: -4.376 local terms energy: -621.914431 where: bonds (distance) C4'-P energy: -136.759 bonds (distance) P-C4' energy: -132.105 flat angles C4'-P-C4' energy: -125.904 flat angles P-C4'-P energy: -75.351 tors. eta vs tors. theta energy: -151.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1638.194930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.194930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.194930 (E_RNA) where: Base-Base interactions energy: -1086.606 where: short stacking energy: -496.560 Base-Backbone interact. energy: -2.205 local terms energy: -549.383456 where: bonds (distance) C4'-P energy: -106.364 bonds (distance) P-C4' energy: -116.104 flat angles C4'-P-C4' energy: -129.280 flat angles P-C4'-P energy: -80.373 tors. eta vs tors. theta energy: -117.263 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: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1602.630439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.630439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.630439 (E_RNA) where: Base-Base interactions energy: -1030.772 where: short stacking energy: -458.760 Base-Backbone interact. energy: -3.014 local terms energy: -568.844418 where: bonds (distance) C4'-P energy: -118.306 bonds (distance) P-C4' energy: -115.474 flat angles C4'-P-C4' energy: -115.076 flat angles P-C4'-P energy: -89.481 tors. eta vs tors. theta energy: -130.508 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: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1275.334560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.334560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.334560 (E_RNA) where: Base-Base interactions energy: -750.837 where: short stacking energy: -411.216 Base-Backbone interact. energy: -2.395 local terms energy: -522.102288 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -103.202 flat angles C4'-P-C4' energy: -117.097 flat angles P-C4'-P energy: -80.320 tors. eta vs tors. theta energy: -102.530 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: 27 Temperature: 1.100000 Total energy: -1161.438990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.438990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.438990 (E_RNA) where: Base-Base interactions energy: -678.978 where: short stacking energy: -354.254 Base-Backbone interact. energy: -0.582 local terms energy: -481.879261 where: bonds (distance) C4'-P energy: -104.784 bonds (distance) P-C4' energy: -114.174 flat angles C4'-P-C4' energy: -117.457 flat angles P-C4'-P energy: -65.118 tors. eta vs tors. theta energy: -80.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1112.374690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.374690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.374690 (E_RNA) where: Base-Base interactions energy: -669.281 where: short stacking energy: -329.396 Base-Backbone interact. energy: 0.064 local terms energy: -443.157747 where: bonds (distance) C4'-P energy: -99.264 bonds (distance) P-C4' energy: -99.555 flat angles C4'-P-C4' energy: -116.316 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: -62.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -885.563761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.563761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.563761 (E_RNA) where: Base-Base interactions energy: -498.477 where: short stacking energy: -255.464 Base-Backbone interact. energy: 0.612 local terms energy: -387.698723 where: bonds (distance) C4'-P energy: -98.254 bonds (distance) P-C4' energy: -106.042 flat angles C4'-P-C4' energy: -97.859 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -35.365 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: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -787.714267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.714267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.714267 (E_RNA) where: Base-Base interactions energy: -434.983 where: short stacking energy: -232.678 Base-Backbone interact. energy: 2.368 local terms energy: -355.098827 where: bonds (distance) C4'-P energy: -99.194 bonds (distance) P-C4' energy: -94.831 flat angles C4'-P-C4' energy: -94.110 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -7.883 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: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -548.102600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.102600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.102600 (E_RNA) where: Base-Base interactions energy: -216.662 where: short stacking energy: -143.748 Base-Backbone interact. energy: -2.011 local terms energy: -329.430363 where: bonds (distance) C4'-P energy: -83.229 bonds (distance) P-C4' energy: -100.819 flat angles C4'-P-C4' energy: -82.014 flat angles P-C4'-P energy: -62.367 tors. eta vs tors. theta energy: -1.002 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: 10, replica: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -498.607709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.607709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.607709 (E_RNA) where: Base-Base interactions energy: -213.241 where: short stacking energy: -163.425 Base-Backbone interact. energy: 3.631 local terms energy: -288.998268 where: bonds (distance) C4'-P energy: -79.720 bonds (distance) P-C4' energy: -102.388 flat angles C4'-P-C4' energy: -73.855 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: 17.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1874.892297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.892297 (E_RNA) where: Base-Base interactions energy: -1262.474 where: short stacking energy: -565.907 Base-Backbone interact. energy: -1.787 local terms energy: -610.630968 where: bonds (distance) C4'-P energy: -128.048 bonds (distance) P-C4' energy: -122.837 flat angles C4'-P-C4' energy: -124.375 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -157.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1683.358334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.358334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.358334 (E_RNA) where: Base-Base interactions energy: -1105.426 where: short stacking energy: -484.376 Base-Backbone interact. energy: -8.847 local terms energy: -569.084795 where: bonds (distance) C4'-P energy: -110.466 bonds (distance) P-C4' energy: -127.798 flat angles C4'-P-C4' energy: -113.957 flat angles P-C4'-P energy: -87.647 tors. eta vs tors. theta energy: -129.218 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: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1641.005179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.005179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.005179 (E_RNA) where: Base-Base interactions energy: -1043.549 where: short stacking energy: -462.128 Base-Backbone interact. energy: -4.013 local terms energy: -593.443612 where: bonds (distance) C4'-P energy: -124.225 bonds (distance) P-C4' energy: -126.278 flat angles C4'-P-C4' energy: -129.287 flat angles P-C4'-P energy: -83.942 tors. eta vs tors. theta energy: -129.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1240.685177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.685177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.685177 (E_RNA) where: Base-Base interactions energy: -750.750 where: short stacking energy: -368.949 Base-Backbone interact. energy: 3.307 local terms energy: -493.241872 where: bonds (distance) C4'-P energy: -116.321 bonds (distance) P-C4' energy: -107.947 flat angles C4'-P-C4' energy: -116.073 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -97.173 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: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1196.017495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.017495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.017495 (E_RNA) where: Base-Base interactions energy: -733.011 where: short stacking energy: -353.757 Base-Backbone interact. energy: -2.141 local terms energy: -460.865079 where: bonds (distance) C4'-P energy: -110.421 bonds (distance) P-C4' energy: -91.113 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -57.895 tors. eta vs tors. theta energy: -82.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1070.306376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.306376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.306376 (E_RNA) where: Base-Base interactions energy: -628.216 where: short stacking energy: -290.193 Base-Backbone interact. energy: 2.429 local terms energy: -444.519556 where: bonds (distance) C4'-P energy: -108.298 bonds (distance) P-C4' energy: -107.992 flat angles C4'-P-C4' energy: -104.383 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -57.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -899.032403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.032403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.032403 (E_RNA) where: Base-Base interactions energy: -500.108 where: short stacking energy: -242.445 Base-Backbone interact. energy: 2.775 local terms energy: -401.699948 where: bonds (distance) C4'-P energy: -106.861 bonds (distance) P-C4' energy: -121.161 flat angles C4'-P-C4' energy: -98.040 flat angles P-C4'-P energy: -51.955 tors. eta vs tors. theta energy: -23.683 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: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -817.513568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.513568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.513568 (E_RNA) where: Base-Base interactions energy: -451.934 where: short stacking energy: -232.466 Base-Backbone interact. energy: 1.593 local terms energy: -367.171853 where: bonds (distance) C4'-P energy: -92.450 bonds (distance) P-C4' energy: -102.783 flat angles C4'-P-C4' energy: -82.142 flat angles P-C4'-P energy: -65.603 tors. eta vs tors. theta energy: -24.195 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: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -633.816264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.816264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.816264 (E_RNA) where: Base-Base interactions energy: -280.585 where: short stacking energy: -184.239 Base-Backbone interact. energy: 1.417 local terms energy: -354.648770 where: bonds (distance) C4'-P energy: -103.683 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -92.316 flat angles P-C4'-P energy: -54.802 tors. eta vs tors. theta energy: -7.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -455.705002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.705002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.705002 (E_RNA) where: Base-Base interactions energy: -148.890 where: short stacking energy: -104.498 Base-Backbone interact. energy: -3.603 local terms energy: -303.212570 where: bonds (distance) C4'-P energy: -84.527 bonds (distance) P-C4' energy: -102.659 flat angles C4'-P-C4' energy: -88.320 flat angles P-C4'-P energy: -48.481 tors. eta vs tors. theta energy: 20.774 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: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1866.198134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.198134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.198134 (E_RNA) where: Base-Base interactions energy: -1258.359 where: short stacking energy: -546.393 Base-Backbone interact. energy: -3.508 local terms energy: -604.331367 where: bonds (distance) C4'-P energy: -111.335 bonds (distance) P-C4' energy: -112.812 flat angles C4'-P-C4' energy: -133.496 flat angles P-C4'-P energy: -84.831 tors. eta vs tors. theta energy: -161.856 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: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1710.707495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.707495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.707495 (E_RNA) where: Base-Base interactions energy: -1107.177 where: short stacking energy: -512.087 Base-Backbone interact. energy: -3.399 local terms energy: -600.131571 where: bonds (distance) C4'-P energy: -115.611 bonds (distance) P-C4' energy: -126.892 flat angles C4'-P-C4' energy: -120.168 flat angles P-C4'-P energy: -89.250 tors. eta vs tors. theta energy: -148.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1663.800664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.800664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.800664 (E_RNA) where: Base-Base interactions energy: -1104.219 where: short stacking energy: -467.745 Base-Backbone interact. energy: -0.157 local terms energy: -559.424946 where: bonds (distance) C4'-P energy: -113.852 bonds (distance) P-C4' energy: -95.533 flat angles C4'-P-C4' energy: -127.328 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -131.508 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: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1252.717252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.717252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.717252 (E_RNA) where: Base-Base interactions energy: -749.193 where: short stacking energy: -390.924 Base-Backbone interact. energy: -3.483 local terms energy: -500.040794 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -99.324 flat angles C4'-P-C4' energy: -119.403 flat angles P-C4'-P energy: -81.761 tors. eta vs tors. theta energy: -92.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1225.702300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.702300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.702300 (E_RNA) where: Base-Base interactions energy: -773.086 where: short stacking energy: -362.375 Base-Backbone interact. energy: -1.113 local terms energy: -451.502895 where: bonds (distance) C4'-P energy: -110.565 bonds (distance) P-C4' energy: -107.312 flat angles C4'-P-C4' energy: -107.413 flat angles P-C4'-P energy: -60.778 tors. eta vs tors. theta energy: -65.434 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: 29 Temperature: 1.150000 Total energy: -1101.849627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.849627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.849627 (E_RNA) where: Base-Base interactions energy: -653.899 where: short stacking energy: -330.608 Base-Backbone interact. energy: -0.073 local terms energy: -447.877631 where: bonds (distance) C4'-P energy: -97.395 bonds (distance) P-C4' energy: -110.134 flat angles C4'-P-C4' energy: -103.925 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: -70.349 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: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -913.947601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.947601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.947601 (E_RNA) where: Base-Base interactions energy: -520.279 where: short stacking energy: -278.940 Base-Backbone interact. energy: -0.012 local terms energy: -393.656762 where: bonds (distance) C4'-P energy: -83.581 bonds (distance) P-C4' energy: -91.712 flat angles C4'-P-C4' energy: -97.708 flat angles P-C4'-P energy: -76.060 tors. eta vs tors. theta energy: -44.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -785.535256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.535256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.535256 (E_RNA) where: Base-Base interactions energy: -414.357 where: short stacking energy: -233.496 Base-Backbone interact. energy: 0.424 local terms energy: -371.602536 where: bonds (distance) C4'-P energy: -84.725 bonds (distance) P-C4' energy: -116.586 flat angles C4'-P-C4' energy: -86.094 flat angles P-C4'-P energy: -65.013 tors. eta vs tors. theta energy: -19.184 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: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -609.065186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.065186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.065186 (E_RNA) where: Base-Base interactions energy: -282.116 where: short stacking energy: -164.638 Base-Backbone interact. energy: 0.512 local terms energy: -327.460452 where: bonds (distance) C4'-P energy: -87.105 bonds (distance) P-C4' energy: -112.832 flat angles C4'-P-C4' energy: -83.970 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: 9.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -477.179138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.179138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.179138 (E_RNA) where: Base-Base interactions energy: -183.464 where: short stacking energy: -133.878 Base-Backbone interact. energy: -0.506 local terms energy: -293.209972 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -94.743 flat angles C4'-P-C4' energy: -76.750 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: 33.804 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: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1878.930777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.930777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.930777 (E_RNA) where: Base-Base interactions energy: -1267.945 where: short stacking energy: -545.005 Base-Backbone interact. energy: -2.395 local terms energy: -608.590774 where: bonds (distance) C4'-P energy: -126.442 bonds (distance) P-C4' energy: -111.554 flat angles C4'-P-C4' energy: -133.440 flat angles P-C4'-P energy: -84.576 tors. eta vs tors. theta energy: -152.579 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: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1726.455392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.455392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.455392 (E_RNA) where: Base-Base interactions energy: -1140.500 where: short stacking energy: -499.388 Base-Backbone interact. energy: -0.876 local terms energy: -585.079555 where: bonds (distance) C4'-P energy: -120.310 bonds (distance) P-C4' energy: -118.993 flat angles C4'-P-C4' energy: -127.682 flat angles P-C4'-P energy: -90.449 tors. eta vs tors. theta energy: -127.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1566.711653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.711653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.711653 (E_RNA) where: Base-Base interactions energy: -1020.249 where: short stacking energy: -427.749 Base-Backbone interact. energy: -3.379 local terms energy: -543.083778 where: bonds (distance) C4'-P energy: -101.710 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -124.318 flat angles P-C4'-P energy: -81.150 tors. eta vs tors. theta energy: -111.919 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: 30 Temperature: 1.050000 Total energy: -1249.130827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.130827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.130827 (E_RNA) where: Base-Base interactions energy: -756.753 where: short stacking energy: -380.328 Base-Backbone interact. energy: -1.616 local terms energy: -490.761952 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -93.476 flat angles C4'-P-C4' energy: -123.684 flat angles P-C4'-P energy: -71.234 tors. eta vs tors. theta energy: -100.620 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: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1239.177585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.177585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.177585 (E_RNA) where: Base-Base interactions energy: -768.937 where: short stacking energy: -368.247 Base-Backbone interact. energy: -1.808 local terms energy: -468.433123 where: bonds (distance) C4'-P energy: -101.587 bonds (distance) P-C4' energy: -111.164 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -65.527 tors. eta vs tors. theta energy: -87.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1089.511103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.511103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.511103 (E_RNA) where: Base-Base interactions energy: -654.377 where: short stacking energy: -278.988 Base-Backbone interact. energy: 3.431 local terms energy: -438.565189 where: bonds (distance) C4'-P energy: -94.864 bonds (distance) P-C4' energy: -127.859 flat angles C4'-P-C4' energy: -119.122 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -41.743 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: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -942.849725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.849725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.849725 (E_RNA) where: Base-Base interactions energy: -501.953 where: short stacking energy: -284.204 Base-Backbone interact. energy: 5.032 local terms energy: -445.928361 where: bonds (distance) C4'-P energy: -94.499 bonds (distance) P-C4' energy: -122.233 flat angles C4'-P-C4' energy: -107.492 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -60.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -803.955421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.955421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.955421 (E_RNA) where: Base-Base interactions energy: -430.900 where: short stacking energy: -234.816 Base-Backbone interact. energy: -1.150 local terms energy: -371.905572 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -98.786 flat angles C4'-P-C4' energy: -89.529 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -26.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -633.475605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.475605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.475605 (E_RNA) where: Base-Base interactions energy: -327.176 where: short stacking energy: -205.717 Base-Backbone interact. energy: 0.738 local terms energy: -307.037118 where: bonds (distance) C4'-P energy: -81.751 bonds (distance) P-C4' energy: -101.350 flat angles C4'-P-C4' energy: -86.771 flat angles P-C4'-P energy: -43.093 tors. eta vs tors. theta energy: 5.927 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: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -457.493779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.493779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.493779 (E_RNA) where: Base-Base interactions energy: -150.003 where: short stacking energy: -93.335 Base-Backbone interact. energy: -0.548 local terms energy: -306.942474 where: bonds (distance) C4'-P energy: -105.687 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -39.883 tors. eta vs tors. theta energy: 31.460 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: 1, replica: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1842.026000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.026000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.026000 (E_RNA) where: Base-Base interactions energy: -1244.626 where: short stacking energy: -521.116 Base-Backbone interact. energy: -2.624 local terms energy: -594.776615 where: bonds (distance) C4'-P energy: -119.696 bonds (distance) P-C4' energy: -120.519 flat angles C4'-P-C4' energy: -126.359 flat angles P-C4'-P energy: -88.431 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: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1782.324252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.324252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.324252 (E_RNA) where: Base-Base interactions energy: -1187.942 where: short stacking energy: -529.669 Base-Backbone interact. energy: -6.272 local terms energy: -588.111120 where: bonds (distance) C4'-P energy: -114.470 bonds (distance) P-C4' energy: -119.699 flat angles C4'-P-C4' energy: -128.024 flat angles P-C4'-P energy: -74.589 tors. eta vs tors. theta energy: -151.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1567.519588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.519588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.519588 (E_RNA) where: Base-Base interactions energy: -1022.958 where: short stacking energy: -455.063 Base-Backbone interact. energy: -2.399 local terms energy: -542.163114 where: bonds (distance) C4'-P energy: -110.832 bonds (distance) P-C4' energy: -117.021 flat angles C4'-P-C4' energy: -123.754 flat angles P-C4'-P energy: -70.537 tors. eta vs tors. theta energy: -120.018 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: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1303.718077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.718077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.718077 (E_RNA) where: Base-Base interactions energy: -814.622 where: short stacking energy: -365.409 Base-Backbone interact. energy: 0.832 local terms energy: -489.928137 where: bonds (distance) C4'-P energy: -104.969 bonds (distance) P-C4' energy: -118.072 flat angles C4'-P-C4' energy: -109.083 flat angles P-C4'-P energy: -70.495 tors. eta vs tors. theta energy: -87.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1231.689048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.689048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.689048 (E_RNA) where: Base-Base interactions energy: -744.750 where: short stacking energy: -349.321 Base-Backbone interact. energy: 0.089 local terms energy: -487.027174 where: bonds (distance) C4'-P energy: -92.101 bonds (distance) P-C4' energy: -115.867 flat angles C4'-P-C4' energy: -120.564 flat angles P-C4'-P energy: -78.268 tors. eta vs tors. theta energy: -80.227 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: 31 Temperature: 1.150000 Total energy: -1124.311451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.311451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.311451 (E_RNA) where: Base-Base interactions energy: -700.661 where: short stacking energy: -338.554 Base-Backbone interact. energy: -0.083 local terms energy: -423.568171 where: bonds (distance) C4'-P energy: -86.895 bonds (distance) P-C4' energy: -107.144 flat angles C4'-P-C4' energy: -108.253 flat angles P-C4'-P energy: -62.990 tors. eta vs tors. theta energy: -58.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1004.511362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.511362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.511362 (E_RNA) where: Base-Base interactions energy: -566.227 where: short stacking energy: -291.981 Base-Backbone interact. energy: -3.749 local terms energy: -434.535244 where: bonds (distance) C4'-P energy: -101.116 bonds (distance) P-C4' energy: -100.474 flat angles C4'-P-C4' energy: -108.929 flat angles P-C4'-P energy: -62.512 tors. eta vs tors. theta energy: -61.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -675.388550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.388550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.388550 (E_RNA) where: Base-Base interactions energy: -321.846 where: short stacking energy: -185.430 Base-Backbone interact. energy: -1.695 local terms energy: -351.847789 where: bonds (distance) C4'-P energy: -104.384 bonds (distance) P-C4' energy: -112.153 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: 3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -697.517282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.517282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.517282 (E_RNA) where: Base-Base interactions energy: -362.516 where: short stacking energy: -208.641 Base-Backbone interact. energy: 11.449 local terms energy: -346.450463 where: bonds (distance) C4'-P energy: -81.560 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -86.707 flat angles P-C4'-P energy: -49.083 tors. eta vs tors. theta energy: -15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -466.225269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.225269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.225269 (E_RNA) where: Base-Base interactions energy: -191.286 where: short stacking energy: -125.909 Base-Backbone interact. energy: 0.238 local terms energy: -275.177659 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -72.407 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: 9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1838.429870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.429870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.429870 (E_RNA) where: Base-Base interactions energy: -1249.739 where: short stacking energy: -511.653 Base-Backbone interact. energy: -4.696 local terms energy: -583.994969 where: bonds (distance) C4'-P energy: -115.962 bonds (distance) P-C4' energy: -123.915 flat angles C4'-P-C4' energy: -129.275 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -148.708 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: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1769.787004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.787004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.787004 (E_RNA) where: Base-Base interactions energy: -1182.781 where: short stacking energy: -498.324 Base-Backbone interact. energy: -1.028 local terms energy: -585.977894 where: bonds (distance) C4'-P energy: -117.683 bonds (distance) P-C4' energy: -120.396 flat angles C4'-P-C4' energy: -118.982 flat angles P-C4'-P energy: -86.265 tors. eta vs tors. theta energy: -142.652 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: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1573.433658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.433658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.433658 (E_RNA) where: Base-Base interactions energy: -1016.876 where: short stacking energy: -462.407 Base-Backbone interact. energy: 3.415 local terms energy: -559.973014 where: bonds (distance) C4'-P energy: -118.936 bonds (distance) P-C4' energy: -122.842 flat angles C4'-P-C4' energy: -122.954 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: -127.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1316.064138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.064138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.064138 (E_RNA) where: Base-Base interactions energy: -807.180 where: short stacking energy: -396.970 Base-Backbone interact. energy: -0.974 local terms energy: -507.910620 where: bonds (distance) C4'-P energy: -105.834 bonds (distance) P-C4' energy: -109.333 flat angles C4'-P-C4' energy: -127.195 flat angles P-C4'-P energy: -79.571 tors. eta vs tors. theta energy: -85.979 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: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1250.371444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.371444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.371444 (E_RNA) where: Base-Base interactions energy: -805.830 where: short stacking energy: -372.457 Base-Backbone interact. energy: -2.762 local terms energy: -441.779554 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -97.902 flat angles C4'-P-C4' energy: -120.344 flat angles P-C4'-P energy: -41.129 tors. eta vs tors. theta energy: -76.105 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: 32 Temperature: 1.150000 Total energy: -1111.967335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.967335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.967335 (E_RNA) where: Base-Base interactions energy: -665.846 where: short stacking energy: -335.831 Base-Backbone interact. energy: 0.722 local terms energy: -446.844160 where: bonds (distance) C4'-P energy: -104.773 bonds (distance) P-C4' energy: -98.765 flat angles C4'-P-C4' energy: -105.559 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -65.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -865.156037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.156037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.156037 (E_RNA) where: Base-Base interactions energy: -469.530 where: short stacking energy: -269.536 Base-Backbone interact. energy: -1.208 local terms energy: -394.418368 where: bonds (distance) C4'-P energy: -92.602 bonds (distance) P-C4' energy: -96.615 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -56.201 tors. eta vs tors. theta energy: -37.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -693.899411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.899411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.899411 (E_RNA) where: Base-Base interactions energy: -347.148 where: short stacking energy: -195.338 Base-Backbone interact. energy: 0.055 local terms energy: -346.806361 where: bonds (distance) C4'-P energy: -101.851 bonds (distance) P-C4' energy: -101.882 flat angles C4'-P-C4' energy: -78.863 flat angles P-C4'-P energy: -67.599 tors. eta vs tors. theta energy: 3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -704.347245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.347245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.347245 (E_RNA) where: Base-Base interactions energy: -336.621 where: short stacking energy: -180.252 Base-Backbone interact. energy: 1.356 local terms energy: -369.082714 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -97.907 flat angles C4'-P-C4' energy: -83.917 flat angles P-C4'-P energy: -60.406 tors. eta vs tors. theta energy: -9.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -483.100571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.100571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.100571 (E_RNA) where: Base-Base interactions energy: -190.791 where: short stacking energy: -146.965 Base-Backbone interact. energy: 6.023 local terms energy: -298.332537 where: bonds (distance) C4'-P energy: -94.765 bonds (distance) P-C4' energy: -100.795 flat angles C4'-P-C4' energy: -74.051 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: 23.213 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: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1849.912503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.912503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.912503 (E_RNA) where: Base-Base interactions energy: -1260.439 where: short stacking energy: -528.873 Base-Backbone interact. energy: -1.102 local terms energy: -588.372006 where: bonds (distance) C4'-P energy: -116.178 bonds (distance) P-C4' energy: -126.859 flat angles C4'-P-C4' energy: -119.673 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -132.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1742.436752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.436752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.436752 (E_RNA) where: Base-Base interactions energy: -1172.932 where: short stacking energy: -515.893 Base-Backbone interact. energy: -2.215 local terms energy: -567.289850 where: bonds (distance) C4'-P energy: -113.117 bonds (distance) P-C4' energy: -117.715 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -78.222 tors. eta vs tors. theta energy: -131.756 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: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1569.638660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.638660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.638660 (E_RNA) where: Base-Base interactions energy: -990.503 where: short stacking energy: -401.235 Base-Backbone interact. energy: -4.065 local terms energy: -575.070379 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -123.381 flat angles C4'-P-C4' energy: -128.721 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -114.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1353.192584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.192584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.192584 (E_RNA) where: Base-Base interactions energy: -823.472 where: short stacking energy: -414.516 Base-Backbone interact. energy: -1.865 local terms energy: -527.854616 where: bonds (distance) C4'-P energy: -118.089 bonds (distance) P-C4' energy: -113.202 flat angles C4'-P-C4' energy: -122.014 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -111.348 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: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1257.861725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.861725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.861725 (E_RNA) where: Base-Base interactions energy: -780.190 where: short stacking energy: -375.885 Base-Backbone interact. energy: 0.084 local terms energy: -477.755956 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -103.025 flat angles C4'-P-C4' energy: -125.582 flat angles P-C4'-P energy: -62.240 tors. eta vs tors. theta energy: -88.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1185.664317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.664317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.664317 (E_RNA) where: Base-Base interactions energy: -723.808 where: short stacking energy: -346.066 Base-Backbone interact. energy: -4.698 local terms energy: -457.158246 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -111.425 flat angles C4'-P-C4' energy: -112.294 flat angles P-C4'-P energy: -60.415 tors. eta vs tors. theta energy: -69.395 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: 3 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -958.932770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.932770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.932770 (E_RNA) where: Base-Base interactions energy: -576.788 where: short stacking energy: -287.530 Base-Backbone interact. energy: 1.768 local terms energy: -383.912042 where: bonds (distance) C4'-P energy: -93.391 bonds (distance) P-C4' energy: -95.915 flat angles C4'-P-C4' energy: -92.124 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -49.673 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: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -751.509377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.509377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.509377 (E_RNA) where: Base-Base interactions energy: -399.255 where: short stacking energy: -213.317 Base-Backbone interact. energy: 1.180 local terms energy: -353.433931 where: bonds (distance) C4'-P energy: -92.164 bonds (distance) P-C4' energy: -100.240 flat angles C4'-P-C4' energy: -93.054 flat angles P-C4'-P energy: -58.443 tors. eta vs tors. theta energy: -9.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -685.270337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.270337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.270337 (E_RNA) where: Base-Base interactions energy: -340.123 where: short stacking energy: -204.118 Base-Backbone interact. energy: 0.868 local terms energy: -346.015109 where: bonds (distance) C4'-P energy: -97.288 bonds (distance) P-C4' energy: -105.137 flat angles C4'-P-C4' energy: -87.852 flat angles P-C4'-P energy: -53.819 tors. eta vs tors. theta energy: -1.920 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: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -508.133005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.133005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.133005 (E_RNA) where: Base-Base interactions energy: -220.134 where: short stacking energy: -158.406 Base-Backbone interact. energy: -3.824 local terms energy: -284.174270 where: bonds (distance) C4'-P energy: -92.221 bonds (distance) P-C4' energy: -98.052 flat angles C4'-P-C4' energy: -82.865 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: 32.814 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: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1842.664535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.664535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.664535 (E_RNA) where: Base-Base interactions energy: -1269.975 where: short stacking energy: -556.340 Base-Backbone interact. energy: 1.465 local terms energy: -574.154145 where: bonds (distance) C4'-P energy: -116.080 bonds (distance) P-C4' energy: -113.339 flat angles C4'-P-C4' energy: -113.939 flat angles P-C4'-P energy: -83.709 tors. eta vs tors. theta energy: -147.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1770.964814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.964814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.964814 (E_RNA) where: Base-Base interactions energy: -1163.397 where: short stacking energy: -530.551 Base-Backbone interact. energy: -1.802 local terms energy: -605.766100 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -114.162 flat angles C4'-P-C4' energy: -130.903 flat angles P-C4'-P energy: -87.678 tors. eta vs tors. theta energy: -160.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1534.447894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.447894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.447894 (E_RNA) where: Base-Base interactions energy: -1012.412 where: short stacking energy: -440.528 Base-Backbone interact. energy: -2.393 local terms energy: -519.642352 where: bonds (distance) C4'-P energy: -103.483 bonds (distance) P-C4' energy: -114.479 flat angles C4'-P-C4' energy: -119.201 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -105.120 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: 34 Temperature: 1.050000 Total energy: -1403.691074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.691074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.691074 (E_RNA) where: Base-Base interactions energy: -885.401 where: short stacking energy: -414.152 Base-Backbone interact. energy: -4.774 local terms energy: -513.515626 where: bonds (distance) C4'-P energy: -112.885 bonds (distance) P-C4' energy: -109.108 flat angles C4'-P-C4' energy: -109.012 flat angles P-C4'-P energy: -69.979 tors. eta vs tors. theta energy: -112.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1253.012923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.012923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.012923 (E_RNA) where: Base-Base interactions energy: -772.256 where: short stacking energy: -367.590 Base-Backbone interact. energy: -1.982 local terms energy: -478.774758 where: bonds (distance) C4'-P energy: -105.504 bonds (distance) P-C4' energy: -115.738 flat angles C4'-P-C4' energy: -85.257 flat angles P-C4'-P energy: -76.064 tors. eta vs tors. theta energy: -96.212 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: 34 Temperature: 1.150000 Total energy: -1108.498902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.498902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.498902 (E_RNA) where: Base-Base interactions energy: -684.853 where: short stacking energy: -297.440 Base-Backbone interact. energy: -3.573 local terms energy: -420.073516 where: bonds (distance) C4'-P energy: -90.115 bonds (distance) P-C4' energy: -110.214 flat angles C4'-P-C4' energy: -89.937 flat angles P-C4'-P energy: -76.637 tors. eta vs tors. theta energy: -53.171 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: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1015.501898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.501898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.501898 (E_RNA) where: Base-Base interactions energy: -584.935 where: short stacking energy: -256.414 Base-Backbone interact. energy: -1.112 local terms energy: -429.454577 where: bonds (distance) C4'-P energy: -104.335 bonds (distance) P-C4' energy: -104.242 flat angles C4'-P-C4' energy: -109.882 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -52.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -801.207412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.207412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.207412 (E_RNA) where: Base-Base interactions energy: -422.564 where: short stacking energy: -226.963 Base-Backbone interact. energy: 0.229 local terms energy: -378.872761 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -112.494 flat angles C4'-P-C4' energy: -103.224 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -641.772277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.772277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.772277 (E_RNA) where: Base-Base interactions energy: -293.260 where: short stacking energy: -174.875 Base-Backbone interact. energy: 4.187 local terms energy: -352.699321 where: bonds (distance) C4'-P energy: -80.055 bonds (distance) P-C4' energy: -116.639 flat angles C4'-P-C4' energy: -75.729 flat angles P-C4'-P energy: -71.056 tors. eta vs tors. theta energy: -9.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -495.916372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.916372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.916372 (E_RNA) where: Base-Base interactions energy: -202.993 where: short stacking energy: -139.675 Base-Backbone interact. energy: 2.343 local terms energy: -295.266604 where: bonds (distance) C4'-P energy: -95.263 bonds (distance) P-C4' energy: -92.953 flat angles C4'-P-C4' energy: -72.256 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: 9.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1838.240537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.240537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.240537 (E_RNA) where: Base-Base interactions energy: -1240.836 where: short stacking energy: -529.155 Base-Backbone interact. energy: -0.730 local terms energy: -596.675133 where: bonds (distance) C4'-P energy: -107.494 bonds (distance) P-C4' energy: -127.340 flat angles C4'-P-C4' energy: -134.902 flat angles P-C4'-P energy: -76.981 tors. eta vs tors. theta energy: -149.960 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: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1824.218022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.218022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.218022 (E_RNA) where: Base-Base interactions energy: -1220.998 where: short stacking energy: -555.559 Base-Backbone interact. energy: -3.656 local terms energy: -599.563761 where: bonds (distance) C4'-P energy: -109.626 bonds (distance) P-C4' energy: -111.548 flat angles C4'-P-C4' energy: -135.331 flat angles P-C4'-P energy: -89.123 tors. eta vs tors. theta energy: -153.937 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: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1646.329370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.329370 (E_RNA) where: Base-Base interactions energy: -1074.786 where: short stacking energy: -478.445 Base-Backbone interact. energy: -3.413 local terms energy: -568.129560 where: bonds (distance) C4'-P energy: -105.808 bonds (distance) P-C4' energy: -112.202 flat angles C4'-P-C4' energy: -134.439 flat angles P-C4'-P energy: -78.976 tors. eta vs tors. theta energy: -136.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1396.516079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.516079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.516079 (E_RNA) where: Base-Base interactions energy: -893.166 where: short stacking energy: -433.634 Base-Backbone interact. energy: 4.129 local terms energy: -507.479426 where: bonds (distance) C4'-P energy: -104.591 bonds (distance) P-C4' energy: -120.575 flat angles C4'-P-C4' energy: -106.714 flat angles P-C4'-P energy: -69.677 tors. eta vs tors. theta energy: -105.922 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: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1256.548545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.548545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.548545 (E_RNA) where: Base-Base interactions energy: -777.665 where: short stacking energy: -399.161 Base-Backbone interact. energy: 0.037 local terms energy: -478.920733 where: bonds (distance) C4'-P energy: -88.510 bonds (distance) P-C4' energy: -111.864 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -82.614 tors. eta vs tors. theta energy: -87.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1175.125545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.125545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.125545 (E_RNA) where: Base-Base interactions energy: -728.949 where: short stacking energy: -307.508 Base-Backbone interact. energy: -0.630 local terms energy: -445.546122 where: bonds (distance) C4'-P energy: -98.970 bonds (distance) P-C4' energy: -113.359 flat angles C4'-P-C4' energy: -105.187 flat angles P-C4'-P energy: -62.125 tors. eta vs tors. theta energy: -65.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1023.425488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.425488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.425488 (E_RNA) where: Base-Base interactions energy: -605.159 where: short stacking energy: -321.153 Base-Backbone interact. energy: 1.697 local terms energy: -419.963274 where: bonds (distance) C4'-P energy: -85.900 bonds (distance) P-C4' energy: -105.529 flat angles C4'-P-C4' energy: -105.942 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: -64.679 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: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -851.442360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.442360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.442360 (E_RNA) where: Base-Base interactions energy: -480.447 where: short stacking energy: -255.321 Base-Backbone interact. energy: -1.576 local terms energy: -369.419268 where: bonds (distance) C4'-P energy: -81.324 bonds (distance) P-C4' energy: -101.525 flat angles C4'-P-C4' energy: -90.593 flat angles P-C4'-P energy: -74.713 tors. eta vs tors. theta energy: -21.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -699.443163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.443163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.443163 (E_RNA) where: Base-Base interactions energy: -376.532 where: short stacking energy: -196.424 Base-Backbone interact. energy: -2.951 local terms energy: -319.961004 where: bonds (distance) C4'-P energy: -86.902 bonds (distance) P-C4' energy: -111.754 flat angles C4'-P-C4' energy: -69.877 flat angles P-C4'-P energy: -52.488 tors. eta vs tors. theta energy: 1.061 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: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -497.504211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.504211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.504211 (E_RNA) where: Base-Base interactions energy: -167.591 where: short stacking energy: -147.797 Base-Backbone interact. energy: 6.876 local terms energy: -336.789215 where: bonds (distance) C4'-P energy: -88.964 bonds (distance) P-C4' energy: -117.430 flat angles C4'-P-C4' energy: -83.928 flat angles P-C4'-P energy: -50.060 tors. eta vs tors. theta energy: 3.593 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: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1832.408804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.408804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.408804 (E_RNA) where: Base-Base interactions energy: -1227.652 where: short stacking energy: -573.799 Base-Backbone interact. energy: -2.100 local terms energy: -602.656893 where: bonds (distance) C4'-P energy: -99.831 bonds (distance) P-C4' energy: -114.967 flat angles C4'-P-C4' energy: -140.207 flat angles P-C4'-P energy: -95.580 tors. eta vs tors. theta energy: -152.071 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: 2, replica: 9 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1766.421185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.421185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.421185 (E_RNA) where: Base-Base interactions energy: -1198.923 where: short stacking energy: -506.097 Base-Backbone interact. energy: -2.732 local terms energy: -564.765511 where: bonds (distance) C4'-P energy: -104.800 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -132.164 flat angles P-C4'-P energy: -73.440 tors. eta vs tors. theta energy: -138.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1592.192324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.192324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.192324 (E_RNA) where: Base-Base interactions energy: -1036.285 where: short stacking energy: -470.271 Base-Backbone interact. energy: -0.298 local terms energy: -555.609505 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -108.537 flat angles C4'-P-C4' energy: -130.689 flat angles P-C4'-P energy: -82.298 tors. eta vs tors. theta energy: -118.930 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: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1414.369623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.369623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.369623 (E_RNA) where: Base-Base interactions energy: -901.275 where: short stacking energy: -419.419 Base-Backbone interact. energy: -1.276 local terms energy: -511.819014 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -102.322 flat angles C4'-P-C4' energy: -125.030 flat angles P-C4'-P energy: -78.333 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: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1275.773346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.773346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.773346 (E_RNA) where: Base-Base interactions energy: -781.178 where: short stacking energy: -372.181 Base-Backbone interact. energy: -2.729 local terms energy: -491.865908 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -121.539 flat angles C4'-P-C4' energy: -97.052 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -98.929 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1155.843972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.843972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.843972 (E_RNA) where: Base-Base interactions energy: -692.993 where: short stacking energy: -324.312 Base-Backbone interact. energy: -0.156 local terms energy: -462.694668 where: bonds (distance) C4'-P energy: -105.481 bonds (distance) P-C4' energy: -103.468 flat angles C4'-P-C4' energy: -113.910 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -80.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1024.994541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.994541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.994541 (E_RNA) where: Base-Base interactions energy: -601.552 where: short stacking energy: -272.141 Base-Backbone interact. energy: -0.501 local terms energy: -422.941373 where: bonds (distance) C4'-P energy: -103.999 bonds (distance) P-C4' energy: -101.766 flat angles C4'-P-C4' energy: -94.582 flat angles P-C4'-P energy: -74.108 tors. eta vs tors. theta energy: -48.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -850.045141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.045141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.045141 (E_RNA) where: Base-Base interactions energy: -485.136 where: short stacking energy: -241.653 Base-Backbone interact. energy: -0.752 local terms energy: -364.157251 where: bonds (distance) C4'-P energy: -79.598 bonds (distance) P-C4' energy: -106.274 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -17.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -736.453319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.453319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.453319 (E_RNA) where: Base-Base interactions energy: -394.026 where: short stacking energy: -206.716 Base-Backbone interact. energy: -0.174 local terms energy: -342.252803 where: bonds (distance) C4'-P energy: -105.092 bonds (distance) P-C4' energy: -93.874 flat angles C4'-P-C4' energy: -88.040 flat angles P-C4'-P energy: -48.380 tors. eta vs tors. theta energy: -6.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -513.294660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.294660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.294660 (E_RNA) where: Base-Base interactions energy: -199.053 where: short stacking energy: -144.665 Base-Backbone interact. energy: 0.220 local terms energy: -314.461590 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -102.712 flat angles C4'-P-C4' energy: -92.063 flat angles P-C4'-P energy: -33.694 tors. eta vs tors. theta energy: 13.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1836.925668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.925668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.925668 (E_RNA) where: Base-Base interactions energy: -1206.005 where: short stacking energy: -562.338 Base-Backbone interact. energy: -1.407 local terms energy: -629.513538 where: bonds (distance) C4'-P energy: -120.246 bonds (distance) P-C4' energy: -113.194 flat angles C4'-P-C4' energy: -136.829 flat angles P-C4'-P energy: -93.297 tors. eta vs tors. theta energy: -165.948 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: 37 Temperature: 0.950000 Total energy: -1724.500131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.500131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.500131 (E_RNA) where: Base-Base interactions energy: -1147.680 where: short stacking energy: -499.660 Base-Backbone interact. energy: -2.317 local terms energy: -574.502976 where: bonds (distance) C4'-P energy: -100.746 bonds (distance) P-C4' energy: -127.607 flat angles C4'-P-C4' energy: -125.174 flat angles P-C4'-P energy: -79.888 tors. eta vs tors. theta energy: -141.089 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: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1596.569075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.569075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.569075 (E_RNA) where: Base-Base interactions energy: -1053.480 where: short stacking energy: -454.213 Base-Backbone interact. energy: 0.056 local terms energy: -543.144817 where: bonds (distance) C4'-P energy: -109.629 bonds (distance) P-C4' energy: -105.191 flat angles C4'-P-C4' energy: -126.430 flat angles P-C4'-P energy: -83.880 tors. eta vs tors. theta energy: -118.015 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: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1443.066686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.066686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.066686 (E_RNA) where: Base-Base interactions energy: -916.790 where: short stacking energy: -439.627 Base-Backbone interact. energy: -3.159 local terms energy: -523.117058 where: bonds (distance) C4'-P energy: -95.039 bonds (distance) P-C4' energy: -94.464 flat angles C4'-P-C4' energy: -134.294 flat angles P-C4'-P energy: -85.189 tors. eta vs tors. theta energy: -114.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1177.421928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.421928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.421928 (E_RNA) where: Base-Base interactions energy: -709.055 where: short stacking energy: -368.573 Base-Backbone interact. energy: 3.085 local terms energy: -471.451534 where: bonds (distance) C4'-P energy: -106.451 bonds (distance) P-C4' energy: -96.693 flat angles C4'-P-C4' energy: -117.459 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -78.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1104.865691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.865691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.865691 (E_RNA) where: Base-Base interactions energy: -660.450 where: short stacking energy: -331.621 Base-Backbone interact. energy: 3.323 local terms energy: -447.738153 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -108.501 flat angles C4'-P-C4' energy: -110.538 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -61.810 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: 7, replica: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1101.359188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.359188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.359188 (E_RNA) where: Base-Base interactions energy: -613.605 where: short stacking energy: -309.885 Base-Backbone interact. energy: -1.875 local terms energy: -485.879420 where: bonds (distance) C4'-P energy: -101.739 bonds (distance) P-C4' energy: -115.726 flat angles C4'-P-C4' energy: -108.899 flat angles P-C4'-P energy: -83.435 tors. eta vs tors. theta energy: -76.081 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: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -810.536682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.536682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.536682 (E_RNA) where: Base-Base interactions energy: -418.977 where: short stacking energy: -220.748 Base-Backbone interact. energy: -2.049 local terms energy: -389.510649 where: bonds (distance) C4'-P energy: -103.488 bonds (distance) P-C4' energy: -101.094 flat angles C4'-P-C4' energy: -103.610 flat angles P-C4'-P energy: -58.074 tors. eta vs tors. theta energy: -23.246 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: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -815.343736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.343736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.343736 (E_RNA) where: Base-Base interactions energy: -436.830 where: short stacking energy: -242.975 Base-Backbone interact. energy: 3.167 local terms energy: -381.680738 where: bonds (distance) C4'-P energy: -98.084 bonds (distance) P-C4' energy: -98.317 flat angles C4'-P-C4' energy: -92.539 flat angles P-C4'-P energy: -60.969 tors. eta vs tors. theta energy: -31.772 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: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -508.893346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.893346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.893346 (E_RNA) where: Base-Base interactions energy: -222.699 where: short stacking energy: -153.110 Base-Backbone interact. energy: 2.098 local terms energy: -288.292180 where: bonds (distance) C4'-P energy: -93.508 bonds (distance) P-C4' energy: -95.703 flat angles C4'-P-C4' energy: -90.111 flat angles P-C4'-P energy: -27.023 tors. eta vs tors. theta energy: 18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1904.416232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.416232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.416232 (E_RNA) where: Base-Base interactions energy: -1286.556 where: short stacking energy: -573.284 Base-Backbone interact. energy: -0.135 local terms energy: -617.725118 where: bonds (distance) C4'-P energy: -114.666 bonds (distance) P-C4' energy: -104.445 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -92.873 tors. eta vs tors. theta energy: -171.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1736.825032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.825032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.825032 (E_RNA) where: Base-Base interactions energy: -1186.524 where: short stacking energy: -508.127 Base-Backbone interact. energy: -0.984 local terms energy: -549.316954 where: bonds (distance) C4'-P energy: -119.480 bonds (distance) P-C4' energy: -104.685 flat angles C4'-P-C4' energy: -124.180 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -130.330 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: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1510.814820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.814820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.814820 (E_RNA) where: Base-Base interactions energy: -981.805 where: short stacking energy: -411.287 Base-Backbone interact. energy: 1.197 local terms energy: -530.206727 where: bonds (distance) C4'-P energy: -107.357 bonds (distance) P-C4' energy: -116.912 flat angles C4'-P-C4' energy: -118.945 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -115.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1400.207801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.207801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.207801 (E_RNA) where: Base-Base interactions energy: -869.524 where: short stacking energy: -429.746 Base-Backbone interact. energy: -2.771 local terms energy: -527.912928 where: bonds (distance) C4'-P energy: -121.097 bonds (distance) P-C4' energy: -107.919 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: -118.235 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1260.285667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.285667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.285667 (E_RNA) where: Base-Base interactions energy: -777.911 where: short stacking energy: -403.515 Base-Backbone interact. energy: 1.077 local terms energy: -483.451315 where: bonds (distance) C4'-P energy: -100.904 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -114.493 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -89.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1050.000783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.000783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.000783 (E_RNA) where: Base-Base interactions energy: -627.454 where: short stacking energy: -325.937 Base-Backbone interact. energy: -1.583 local terms energy: -420.963842 where: bonds (distance) C4'-P energy: -100.693 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -108.323 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: -54.138 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: 38 Temperature: 1.200000 Total energy: -1025.138078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.138078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.138078 (E_RNA) where: Base-Base interactions energy: -624.773 where: short stacking energy: -316.167 Base-Backbone interact. energy: 1.336 local terms energy: -401.701400 where: bonds (distance) C4'-P energy: -94.665 bonds (distance) P-C4' energy: -96.740 flat angles C4'-P-C4' energy: -104.887 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -51.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -759.253531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.253531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.253531 (E_RNA) where: Base-Base interactions energy: -400.016 where: short stacking energy: -220.976 Base-Backbone interact. energy: 3.294 local terms energy: -362.531504 where: bonds (distance) C4'-P energy: -98.243 bonds (distance) P-C4' energy: -88.850 flat angles C4'-P-C4' energy: -94.713 flat angles P-C4'-P energy: -53.498 tors. eta vs tors. theta energy: -27.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -754.291138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.291138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.291138 (E_RNA) where: Base-Base interactions energy: -375.604 where: short stacking energy: -202.119 Base-Backbone interact. energy: 1.578 local terms energy: -380.265324 where: bonds (distance) C4'-P energy: -105.007 bonds (distance) P-C4' energy: -106.034 flat angles C4'-P-C4' energy: -94.093 flat angles P-C4'-P energy: -57.421 tors. eta vs tors. theta energy: -17.710 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: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -545.729252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.729252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.729252 (E_RNA) where: Base-Base interactions energy: -239.109 where: short stacking energy: -154.893 Base-Backbone interact. energy: 1.530 local terms energy: -308.150405 where: bonds (distance) C4'-P energy: -95.455 bonds (distance) P-C4' energy: -98.274 flat angles C4'-P-C4' energy: -87.286 flat angles P-C4'-P energy: -40.514 tors. eta vs tors. theta energy: 13.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1891.902479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.902479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.902479 (E_RNA) where: Base-Base interactions energy: -1269.420 where: short stacking energy: -590.275 Base-Backbone interact. energy: -2.237 local terms energy: -620.246106 where: bonds (distance) C4'-P energy: -110.635 bonds (distance) P-C4' energy: -115.640 flat angles C4'-P-C4' energy: -132.363 flat angles P-C4'-P energy: -84.621 tors. eta vs tors. theta energy: -176.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1746.058021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.058021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.058021 (E_RNA) where: Base-Base interactions energy: -1183.331 where: short stacking energy: -531.391 Base-Backbone interact. energy: -1.099 local terms energy: -561.627491 where: bonds (distance) C4'-P energy: -118.012 bonds (distance) P-C4' energy: -110.126 flat angles C4'-P-C4' energy: -119.167 flat angles P-C4'-P energy: -74.926 tors. eta vs tors. theta energy: -139.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1498.349047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.349047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.349047 (E_RNA) where: Base-Base interactions energy: -960.444 where: short stacking energy: -444.274 Base-Backbone interact. energy: -2.414 local terms energy: -535.491129 where: bonds (distance) C4'-P energy: -118.274 bonds (distance) P-C4' energy: -109.922 flat angles C4'-P-C4' energy: -116.606 flat angles P-C4'-P energy: -73.762 tors. eta vs tors. theta energy: -116.926 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: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1473.022219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.022219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.022219 (E_RNA) where: Base-Base interactions energy: -952.144 where: short stacking energy: -415.536 Base-Backbone interact. energy: 4.444 local terms energy: -525.322087 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -121.725 flat angles C4'-P-C4' energy: -101.987 flat angles P-C4'-P energy: -76.780 tors. eta vs tors. theta energy: -109.511 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: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1299.424225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.424225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.424225 (E_RNA) where: Base-Base interactions energy: -815.211 where: short stacking energy: -413.824 Base-Backbone interact. energy: -4.806 local terms energy: -479.407830 where: bonds (distance) C4'-P energy: -96.216 bonds (distance) P-C4' energy: -112.457 flat angles C4'-P-C4' energy: -107.313 flat angles P-C4'-P energy: -61.278 tors. eta vs tors. theta energy: -102.143 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: 39 Temperature: 1.150000 Total energy: -1084.591417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.591417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.591417 (E_RNA) where: Base-Base interactions energy: -648.468 where: short stacking energy: -304.112 Base-Backbone interact. energy: 1.246 local terms energy: -437.370032 where: bonds (distance) C4'-P energy: -110.911 bonds (distance) P-C4' energy: -105.633 flat angles C4'-P-C4' energy: -99.195 flat angles P-C4'-P energy: -68.554 tors. eta vs tors. theta energy: -53.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1069.331070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.331070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.331070 (E_RNA) where: Base-Base interactions energy: -650.609 where: short stacking energy: -331.232 Base-Backbone interact. energy: -2.060 local terms energy: -416.661696 where: bonds (distance) C4'-P energy: -98.937 bonds (distance) P-C4' energy: -101.360 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -49.543 tors. eta vs tors. theta energy: -62.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -712.927100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.927100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.927100 (E_RNA) where: Base-Base interactions energy: -331.815 where: short stacking energy: -192.206 Base-Backbone interact. energy: 1.964 local terms energy: -383.076046 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -111.797 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -21.360 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: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -632.619754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.619754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.619754 (E_RNA) where: Base-Base interactions energy: -298.252 where: short stacking energy: -161.540 Base-Backbone interact. energy: 6.572 local terms energy: -340.939032 where: bonds (distance) C4'-P energy: -90.713 bonds (distance) P-C4' energy: -106.070 flat angles C4'-P-C4' energy: -98.975 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: 1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -520.497997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.497997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.497997 (E_RNA) where: Base-Base interactions energy: -197.988 where: short stacking energy: -169.973 Base-Backbone interact. energy: 1.540 local terms energy: -324.050572 where: bonds (distance) C4'-P energy: -104.725 bonds (distance) P-C4' energy: -100.649 flat angles C4'-P-C4' energy: -74.811 flat angles P-C4'-P energy: -46.553 tors. eta vs tors. theta energy: 2.688 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: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1854.366031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.366031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.366031 (E_RNA) where: Base-Base interactions energy: -1232.981 where: short stacking energy: -540.541 Base-Backbone interact. energy: -1.708 local terms energy: -619.677221 where: bonds (distance) C4'-P energy: -128.271 bonds (distance) P-C4' energy: -120.619 flat angles C4'-P-C4' energy: -119.551 flat angles P-C4'-P energy: -93.858 tors. eta vs tors. theta energy: -157.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1786.532452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.532452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.532452 (E_RNA) where: Base-Base interactions energy: -1214.597 where: short stacking energy: -518.721 Base-Backbone interact. energy: -1.813 local terms energy: -570.121680 where: bonds (distance) C4'-P energy: -115.808 bonds (distance) P-C4' energy: -114.516 flat angles C4'-P-C4' energy: -127.253 flat angles P-C4'-P energy: -81.214 tors. eta vs tors. theta energy: -131.331 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: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1503.960480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.960480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.960480 (E_RNA) where: Base-Base interactions energy: -967.710 where: short stacking energy: -439.415 Base-Backbone interact. energy: -3.351 local terms energy: -532.900020 where: bonds (distance) C4'-P energy: -111.020 bonds (distance) P-C4' energy: -110.834 flat angles C4'-P-C4' energy: -121.760 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -119.859 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: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1475.573486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.573486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.573486 (E_RNA) where: Base-Base interactions energy: -959.562 where: short stacking energy: -436.339 Base-Backbone interact. energy: -0.640 local terms energy: -515.371063 where: bonds (distance) C4'-P energy: -104.849 bonds (distance) P-C4' energy: -120.230 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -61.502 tors. eta vs tors. theta energy: -122.380 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: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1243.269823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.269823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.269823 (E_RNA) where: Base-Base interactions energy: -762.461 where: short stacking energy: -378.562 Base-Backbone interact. energy: -2.241 local terms energy: -478.568368 where: bonds (distance) C4'-P energy: -94.552 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -117.895 flat angles P-C4'-P energy: -62.653 tors. eta vs tors. theta energy: -83.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1097.859803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.859803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.859803 (E_RNA) where: Base-Base interactions energy: -676.810 where: short stacking energy: -340.587 Base-Backbone interact. energy: -1.202 local terms energy: -419.847648 where: bonds (distance) C4'-P energy: -98.682 bonds (distance) P-C4' energy: -99.665 flat angles C4'-P-C4' energy: -103.782 flat angles P-C4'-P energy: -60.832 tors. eta vs tors. theta energy: -56.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1125.873809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.873809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.873809 (E_RNA) where: Base-Base interactions energy: -691.087 where: short stacking energy: -337.169 Base-Backbone interact. energy: 5.406 local terms energy: -440.193355 where: bonds (distance) C4'-P energy: -103.013 bonds (distance) P-C4' energy: -99.551 flat angles C4'-P-C4' energy: -112.755 flat angles P-C4'-P energy: -59.923 tors. eta vs tors. theta energy: -64.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -726.654378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.654378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.654378 (E_RNA) where: Base-Base interactions energy: -366.181 where: short stacking energy: -202.724 Base-Backbone interact. energy: 0.174 local terms energy: -360.647457 where: bonds (distance) C4'-P energy: -89.933 bonds (distance) P-C4' energy: -106.353 flat angles C4'-P-C4' energy: -90.161 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -14.624 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: 40 Temperature: 1.300000 Total energy: -681.062459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.062459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.062459 (E_RNA) where: Base-Base interactions energy: -365.008 where: short stacking energy: -196.545 Base-Backbone interact. energy: 0.071 local terms energy: -316.125359 where: bonds (distance) C4'-P energy: -93.430 bonds (distance) P-C4' energy: -107.730 flat angles C4'-P-C4' energy: -68.502 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: 0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -489.179921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.179921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.179921 (E_RNA) where: Base-Base interactions energy: -193.949 where: short stacking energy: -133.814 Base-Backbone interact. energy: -2.405 local terms energy: -292.826270 where: bonds (distance) C4'-P energy: -85.427 bonds (distance) P-C4' energy: -113.712 flat angles C4'-P-C4' energy: -78.724 flat angles P-C4'-P energy: -32.486 tors. eta vs tors. theta energy: 17.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1902.658886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.658886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.658886 (E_RNA) where: Base-Base interactions energy: -1291.526 where: short stacking energy: -569.307 Base-Backbone interact. energy: 2.718 local terms energy: -613.850813 where: bonds (distance) C4'-P energy: -124.198 bonds (distance) P-C4' energy: -118.742 flat angles C4'-P-C4' energy: -131.943 flat angles P-C4'-P energy: -82.103 tors. eta vs tors. theta energy: -156.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1771.961891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.961891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.961891 (E_RNA) where: Base-Base interactions energy: -1192.302 where: short stacking energy: -528.482 Base-Backbone interact. energy: 2.355 local terms energy: -582.015173 where: bonds (distance) C4'-P energy: -118.904 bonds (distance) P-C4' energy: -119.393 flat angles C4'-P-C4' energy: -118.004 flat angles P-C4'-P energy: -83.633 tors. eta vs tors. theta energy: -142.082 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: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1521.218313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.218313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.218313 (E_RNA) where: Base-Base interactions energy: -978.090 where: short stacking energy: -457.242 Base-Backbone interact. energy: -2.239 local terms energy: -540.889442 where: bonds (distance) C4'-P energy: -105.441 bonds (distance) P-C4' energy: -122.858 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -72.520 tors. eta vs tors. theta energy: -114.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1491.303874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.303874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.303874 (E_RNA) where: Base-Base interactions energy: -936.950 where: short stacking energy: -436.105 Base-Backbone interact. energy: 0.031 local terms energy: -554.384062 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -115.321 flat angles C4'-P-C4' energy: -118.751 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -121.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1249.338335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.338335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.338335 (E_RNA) where: Base-Base interactions energy: -766.468 where: short stacking energy: -392.351 Base-Backbone interact. energy: -3.501 local terms energy: -479.368705 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -118.377 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -69.546 tors. eta vs tors. theta energy: -87.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1145.049780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.049780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.049780 (E_RNA) where: Base-Base interactions energy: -705.289 where: short stacking energy: -343.025 Base-Backbone interact. energy: -4.082 local terms energy: -435.679338 where: bonds (distance) C4'-P energy: -89.030 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -115.369 flat angles P-C4'-P energy: -71.156 tors. eta vs tors. theta energy: -57.230 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: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1051.423727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.423727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.423727 (E_RNA) where: Base-Base interactions energy: -624.818 where: short stacking energy: -281.383 Base-Backbone interact. energy: 1.076 local terms energy: -427.682072 where: bonds (distance) C4'-P energy: -100.444 bonds (distance) P-C4' energy: -98.843 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -57.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -827.993590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.993590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.993590 (E_RNA) where: Base-Base interactions energy: -447.621 where: short stacking energy: -243.788 Base-Backbone interact. energy: -3.492 local terms energy: -376.880530 where: bonds (distance) C4'-P energy: -106.478 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -98.759 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -20.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -666.101935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.101935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.101935 (E_RNA) where: Base-Base interactions energy: -320.234 where: short stacking energy: -194.648 Base-Backbone interact. energy: -3.463 local terms energy: -342.405297 where: bonds (distance) C4'-P energy: -85.288 bonds (distance) P-C4' energy: -106.781 flat angles C4'-P-C4' energy: -80.566 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -11.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -523.818135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.818135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.818135 (E_RNA) where: Base-Base interactions energy: -222.025 where: short stacking energy: -116.920 Base-Backbone interact. energy: 6.451 local terms energy: -308.244398 where: bonds (distance) C4'-P energy: -99.856 bonds (distance) P-C4' energy: -110.803 flat angles C4'-P-C4' energy: -70.765 flat angles P-C4'-P energy: -32.616 tors. eta vs tors. theta energy: 5.796 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: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1895.724250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.724250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.724250 (E_RNA) where: Base-Base interactions energy: -1280.859 where: short stacking energy: -551.705 Base-Backbone interact. energy: -1.083 local terms energy: -613.782226 where: bonds (distance) C4'-P energy: -118.438 bonds (distance) P-C4' energy: -108.760 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -153.162 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: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1776.033175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.033175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.033175 (E_RNA) where: Base-Base interactions energy: -1154.270 where: short stacking energy: -529.932 Base-Backbone interact. energy: -3.508 local terms energy: -618.254880 where: bonds (distance) C4'-P energy: -121.304 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -128.498 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -153.772 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: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1588.392292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.392292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.392292 (E_RNA) where: Base-Base interactions energy: -1058.399 where: short stacking energy: -439.520 Base-Backbone interact. energy: -3.691 local terms energy: -526.302427 where: bonds (distance) C4'-P energy: -101.389 bonds (distance) P-C4' energy: -114.437 flat angles C4'-P-C4' energy: -115.026 flat angles P-C4'-P energy: -79.862 tors. eta vs tors. theta energy: -115.588 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: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1572.614774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.614774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.614774 (E_RNA) where: Base-Base interactions energy: -1029.479 where: short stacking energy: -496.205 Base-Backbone interact. energy: 1.083 local terms energy: -544.218617 where: bonds (distance) C4'-P energy: -111.625 bonds (distance) P-C4' energy: -108.825 flat angles C4'-P-C4' energy: -118.154 flat angles P-C4'-P energy: -65.582 tors. eta vs tors. theta energy: -140.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1225.478760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.478760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.478760 (E_RNA) where: Base-Base interactions energy: -768.962 where: short stacking energy: -378.843 Base-Backbone interact. energy: 1.792 local terms energy: -458.308322 where: bonds (distance) C4'-P energy: -104.228 bonds (distance) P-C4' energy: -114.295 flat angles C4'-P-C4' energy: -106.852 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: -71.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1145.523474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.523474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.523474 (E_RNA) where: Base-Base interactions energy: -720.591 where: short stacking energy: -319.663 Base-Backbone interact. energy: -2.616 local terms energy: -422.315624 where: bonds (distance) C4'-P energy: -98.134 bonds (distance) P-C4' energy: -98.436 flat angles C4'-P-C4' energy: -106.991 flat angles P-C4'-P energy: -67.787 tors. eta vs tors. theta energy: -50.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1016.721389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.721389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.721389 (E_RNA) where: Base-Base interactions energy: -602.846 where: short stacking energy: -303.606 Base-Backbone interact. energy: 2.943 local terms energy: -416.818034 where: bonds (distance) C4'-P energy: -81.061 bonds (distance) P-C4' energy: -92.853 flat angles C4'-P-C4' energy: -123.278 flat angles P-C4'-P energy: -57.449 tors. eta vs tors. theta energy: -62.178 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: 42 Temperature: 1.250000 Total energy: -886.582843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.582843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.582843 (E_RNA) where: Base-Base interactions energy: -497.349 where: short stacking energy: -280.749 Base-Backbone interact. energy: 4.164 local terms energy: -393.397763 where: bonds (distance) C4'-P energy: -88.916 bonds (distance) P-C4' energy: -93.952 flat angles C4'-P-C4' energy: -99.565 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -44.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -645.286516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.286516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.286516 (E_RNA) where: Base-Base interactions energy: -329.961 where: short stacking energy: -196.027 Base-Backbone interact. energy: -0.290 local terms energy: -315.034908 where: bonds (distance) C4'-P energy: -102.780 bonds (distance) P-C4' energy: -71.938 flat angles C4'-P-C4' energy: -87.006 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -1.429 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: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -590.193723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.193723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.193723 (E_RNA) where: Base-Base interactions energy: -296.976 where: short stacking energy: -161.181 Base-Backbone interact. energy: 2.041 local terms energy: -295.258549 where: bonds (distance) C4'-P energy: -93.853 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -81.251 flat angles P-C4'-P energy: -33.563 tors. eta vs tors. theta energy: 17.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1878.338818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.338818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.338818 (E_RNA) where: Base-Base interactions energy: -1275.949 where: short stacking energy: -580.303 Base-Backbone interact. energy: -1.452 local terms energy: -600.936919 where: bonds (distance) C4'-P energy: -106.094 bonds (distance) P-C4' energy: -122.709 flat angles C4'-P-C4' energy: -129.145 flat angles P-C4'-P energy: -73.072 tors. eta vs tors. theta energy: -169.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1732.640530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.640530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.640530 (E_RNA) where: Base-Base interactions energy: -1148.937 where: short stacking energy: -522.790 Base-Backbone interact. energy: -3.565 local terms energy: -580.138615 where: bonds (distance) C4'-P energy: -120.074 bonds (distance) P-C4' energy: -110.620 flat angles C4'-P-C4' energy: -117.718 flat angles P-C4'-P energy: -88.016 tors. eta vs tors. theta energy: -143.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1600.430421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.430421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.430421 (E_RNA) where: Base-Base interactions energy: -1053.910 where: short stacking energy: -494.399 Base-Backbone interact. energy: -2.732 local terms energy: -543.787708 where: bonds (distance) C4'-P energy: -99.014 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -132.185 flat angles P-C4'-P energy: -64.738 tors. eta vs tors. theta energy: -129.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1546.500013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.500013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.500013 (E_RNA) where: Base-Base interactions energy: -996.453 where: short stacking energy: -437.618 Base-Backbone interact. energy: -1.307 local terms energy: -548.740047 where: bonds (distance) C4'-P energy: -108.648 bonds (distance) P-C4' energy: -114.834 flat angles C4'-P-C4' energy: -121.894 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -127.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1329.484772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.484772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.484772 (E_RNA) where: Base-Base interactions energy: -844.643 where: short stacking energy: -390.054 Base-Backbone interact. energy: -1.529 local terms energy: -483.312747 where: bonds (distance) C4'-P energy: -98.489 bonds (distance) P-C4' energy: -102.309 flat angles C4'-P-C4' energy: -120.762 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -104.330 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: 43 Temperature: 1.150000 Total energy: -1102.324694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.324694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.324694 (E_RNA) where: Base-Base interactions energy: -682.293 where: short stacking energy: -301.606 Base-Backbone interact. energy: -2.987 local terms energy: -417.044873 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -106.537 flat angles P-C4'-P energy: -56.806 tors. eta vs tors. theta energy: -41.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1061.594868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.594868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.594868 (E_RNA) where: Base-Base interactions energy: -644.172 where: short stacking energy: -300.174 Base-Backbone interact. energy: 3.205 local terms energy: -420.627766 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -105.488 flat angles C4'-P-C4' energy: -83.144 flat angles P-C4'-P energy: -62.558 tors. eta vs tors. theta energy: -54.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -867.208380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.208380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.208380 (E_RNA) where: Base-Base interactions energy: -529.580 where: short stacking energy: -250.939 Base-Backbone interact. energy: -0.846 local terms energy: -336.782008 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -98.217 flat angles P-C4'-P energy: -43.565 tors. eta vs tors. theta energy: -25.214 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: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -685.092866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.092866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.092866 (E_RNA) where: Base-Base interactions energy: -371.076 where: short stacking energy: -224.860 Base-Backbone interact. energy: -0.639 local terms energy: -313.377985 where: bonds (distance) C4'-P energy: -80.529 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -69.151 flat angles P-C4'-P energy: -56.937 tors. eta vs tors. theta energy: -18.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -667.851714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.851714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.851714 (E_RNA) where: Base-Base interactions energy: -344.368 where: short stacking energy: -210.951 Base-Backbone interact. energy: -2.855 local terms energy: -320.629254 where: bonds (distance) C4'-P energy: -71.596 bonds (distance) P-C4' energy: -87.574 flat angles C4'-P-C4' energy: -89.129 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -18.586 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: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1906.846147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.846147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.846147 (E_RNA) where: Base-Base interactions energy: -1290.429 where: short stacking energy: -554.389 Base-Backbone interact. energy: -0.999 local terms energy: -615.418071 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -121.629 flat angles C4'-P-C4' energy: -128.963 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -158.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1744.263480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.263480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.263480 (E_RNA) where: Base-Base interactions energy: -1179.189 where: short stacking energy: -520.548 Base-Backbone interact. energy: -4.539 local terms energy: -560.535716 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -114.677 flat angles C4'-P-C4' energy: -130.863 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -140.889 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: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1626.924540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.924540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.924540 (E_RNA) where: Base-Base interactions energy: -1081.894 where: short stacking energy: -452.059 Base-Backbone interact. energy: -5.299 local terms energy: -539.731887 where: bonds (distance) C4'-P energy: -108.485 bonds (distance) P-C4' energy: -116.435 flat angles C4'-P-C4' energy: -116.605 flat angles P-C4'-P energy: -78.608 tors. eta vs tors. theta energy: -119.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1544.542794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.542794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.542794 (E_RNA) where: Base-Base interactions energy: -1025.416 where: short stacking energy: -446.384 Base-Backbone interact. energy: -1.856 local terms energy: -517.270819 where: bonds (distance) C4'-P energy: -97.085 bonds (distance) P-C4' energy: -102.815 flat angles C4'-P-C4' energy: -126.548 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -132.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1344.928097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.928097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.928097 (E_RNA) where: Base-Base interactions energy: -860.227 where: short stacking energy: -419.899 Base-Backbone interact. energy: 2.044 local terms energy: -486.745034 where: bonds (distance) C4'-P energy: -113.240 bonds (distance) P-C4' energy: -118.551 flat angles C4'-P-C4' energy: -111.471 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -96.813 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: 44 Temperature: 1.150000 Total energy: -1168.536643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.536643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.536643 (E_RNA) where: Base-Base interactions energy: -747.711 where: short stacking energy: -363.319 Base-Backbone interact. energy: 1.136 local terms energy: -421.961234 where: bonds (distance) C4'-P energy: -104.544 bonds (distance) P-C4' energy: -95.611 flat angles C4'-P-C4' energy: -95.476 flat angles P-C4'-P energy: -60.896 tors. eta vs tors. theta energy: -65.433 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: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1078.333918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.333918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.333918 (E_RNA) where: Base-Base interactions energy: -678.389 where: short stacking energy: -325.477 Base-Backbone interact. energy: -0.405 local terms energy: -399.539317 where: bonds (distance) C4'-P energy: -97.316 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -76.703 flat angles P-C4'-P energy: -66.957 tors. eta vs tors. theta energy: -51.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -845.917305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.917305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.917305 (E_RNA) where: Base-Base interactions energy: -473.641 where: short stacking energy: -232.068 Base-Backbone interact. energy: 7.023 local terms energy: -379.299368 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -101.502 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -56.042 tors. eta vs tors. theta energy: -29.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -692.131027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.131027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.131027 (E_RNA) where: Base-Base interactions energy: -356.405 where: short stacking energy: -185.455 Base-Backbone interact. energy: -1.753 local terms energy: -333.973192 where: bonds (distance) C4'-P energy: -99.825 bonds (distance) P-C4' energy: -90.981 flat angles C4'-P-C4' energy: -91.477 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -1.217 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: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -650.181620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.181620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.181620 (E_RNA) where: Base-Base interactions energy: -303.992 where: short stacking energy: -156.001 Base-Backbone interact. energy: -5.809 local terms energy: -340.380623 where: bonds (distance) C4'-P energy: -110.970 bonds (distance) P-C4' energy: -93.166 flat angles C4'-P-C4' energy: -94.952 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: 13.522 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: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1872.945321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.945321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.945321 (E_RNA) where: Base-Base interactions energy: -1273.286 where: short stacking energy: -535.122 Base-Backbone interact. energy: 1.411 local terms energy: -601.071145 where: bonds (distance) C4'-P energy: -122.038 bonds (distance) P-C4' energy: -119.284 flat angles C4'-P-C4' energy: -131.280 flat angles P-C4'-P energy: -80.868 tors. eta vs tors. theta energy: -147.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1760.006515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.006515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.006515 (E_RNA) where: Base-Base interactions energy: -1172.612 where: short stacking energy: -518.335 Base-Backbone interact. energy: 0.133 local terms energy: -587.527787 where: bonds (distance) C4'-P energy: -119.800 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -125.357 flat angles P-C4'-P energy: -78.521 tors. eta vs tors. theta energy: -139.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1577.347036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.347036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.347036 (E_RNA) where: Base-Base interactions energy: -1069.434 where: short stacking energy: -443.562 Base-Backbone interact. energy: -1.736 local terms energy: -506.176781 where: bonds (distance) C4'-P energy: -115.918 bonds (distance) P-C4' energy: -96.561 flat angles C4'-P-C4' energy: -119.042 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -110.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1533.186984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.186984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.186984 (E_RNA) where: Base-Base interactions energy: -980.406 where: short stacking energy: -459.292 Base-Backbone interact. energy: -1.302 local terms energy: -551.478961 where: bonds (distance) C4'-P energy: -113.549 bonds (distance) P-C4' energy: -126.811 flat angles C4'-P-C4' energy: -120.661 flat angles P-C4'-P energy: -71.706 tors. eta vs tors. theta energy: -118.752 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: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1359.144282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.144282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.144282 (E_RNA) where: Base-Base interactions energy: -865.240 where: short stacking energy: -398.674 Base-Backbone interact. energy: -2.712 local terms energy: -491.191859 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -114.523 flat angles C4'-P-C4' energy: -120.227 flat angles P-C4'-P energy: -63.652 tors. eta vs tors. theta energy: -100.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1163.822073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.822073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.822073 (E_RNA) where: Base-Base interactions energy: -718.622 where: short stacking energy: -307.478 Base-Backbone interact. energy: 4.446 local terms energy: -449.645897 where: bonds (distance) C4'-P energy: -97.401 bonds (distance) P-C4' energy: -116.387 flat angles C4'-P-C4' energy: -105.428 flat angles P-C4'-P energy: -73.513 tors. eta vs tors. theta energy: -56.916 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: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1068.553917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.553917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.553917 (E_RNA) where: Base-Base interactions energy: -647.275 where: short stacking energy: -310.124 Base-Backbone interact. energy: -1.783 local terms energy: -419.496197 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -109.018 flat angles C4'-P-C4' energy: -118.469 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: -53.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -864.966494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.966494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.966494 (E_RNA) where: Base-Base interactions energy: -504.639 where: short stacking energy: -216.358 Base-Backbone interact. energy: -1.213 local terms energy: -359.114597 where: bonds (distance) C4'-P energy: -84.603 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -39.755 tors. eta vs tors. theta energy: -11.234 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -633.717018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.717018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.717018 (E_RNA) where: Base-Base interactions energy: -316.153 where: short stacking energy: -183.131 Base-Backbone interact. energy: 0.124 local terms energy: -317.687687 where: bonds (distance) C4'-P energy: -80.790 bonds (distance) P-C4' energy: -94.833 flat angles C4'-P-C4' energy: -98.568 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: 2.947 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: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -621.528526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.528526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.528526 (E_RNA) where: Base-Base interactions energy: -307.747 where: short stacking energy: -194.608 Base-Backbone interact. energy: -0.281 local terms energy: -313.501341 where: bonds (distance) C4'-P energy: -86.652 bonds (distance) P-C4' energy: -95.297 flat angles C4'-P-C4' energy: -81.621 flat angles P-C4'-P energy: -48.233 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: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1899.786592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.786592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.786592 (E_RNA) where: Base-Base interactions energy: -1293.594 where: short stacking energy: -562.916 Base-Backbone interact. energy: -2.392 local terms energy: -603.800978 where: bonds (distance) C4'-P energy: -98.310 bonds (distance) P-C4' energy: -120.275 flat angles C4'-P-C4' energy: -124.911 flat angles P-C4'-P energy: -93.108 tors. eta vs tors. theta energy: -167.197 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: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1758.666085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.666085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.666085 (E_RNA) where: Base-Base interactions energy: -1213.435 where: short stacking energy: -541.915 Base-Backbone interact. energy: -2.825 local terms energy: -542.405636 where: bonds (distance) C4'-P energy: -86.240 bonds (distance) P-C4' energy: -109.030 flat angles C4'-P-C4' energy: -130.584 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -140.990 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: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1582.915380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.915380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.915380 (E_RNA) where: Base-Base interactions energy: -1036.730 where: short stacking energy: -447.544 Base-Backbone interact. energy: 2.022 local terms energy: -548.207786 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -122.650 flat angles C4'-P-C4' energy: -132.289 flat angles P-C4'-P energy: -73.453 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: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1553.987886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.987886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.987886 (E_RNA) where: Base-Base interactions energy: -1017.334 where: short stacking energy: -465.360 Base-Backbone interact. energy: -2.750 local terms energy: -533.903621 where: bonds (distance) C4'-P energy: -117.055 bonds (distance) P-C4' energy: -110.519 flat angles C4'-P-C4' energy: -106.136 flat angles P-C4'-P energy: -83.633 tors. eta vs tors. theta energy: -116.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1378.134427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.134427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.134427 (E_RNA) where: Base-Base interactions energy: -880.033 where: short stacking energy: -415.766 Base-Backbone interact. energy: -1.189 local terms energy: -496.912776 where: bonds (distance) C4'-P energy: -108.556 bonds (distance) P-C4' energy: -110.376 flat angles C4'-P-C4' energy: -111.434 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -91.955 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: 6, replica: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1219.990775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.990775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.990775 (E_RNA) where: Base-Base interactions energy: -751.291 where: short stacking energy: -337.288 Base-Backbone interact. energy: 5.862 local terms energy: -474.561119 where: bonds (distance) C4'-P energy: -104.539 bonds (distance) P-C4' energy: -128.195 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -71.876 tors. eta vs tors. theta energy: -62.363 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: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1089.718988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.718988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.718988 (E_RNA) where: Base-Base interactions energy: -646.173 where: short stacking energy: -319.433 Base-Backbone interact. energy: -1.337 local terms energy: -442.209084 where: bonds (distance) C4'-P energy: -106.595 bonds (distance) P-C4' energy: -92.618 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -69.558 tors. eta vs tors. theta energy: -62.817 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: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -942.595271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.595271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.595271 (E_RNA) where: Base-Base interactions energy: -556.445 where: short stacking energy: -267.987 Base-Backbone interact. energy: -0.137 local terms energy: -386.012691 where: bonds (distance) C4'-P energy: -106.865 bonds (distance) P-C4' energy: -100.545 flat angles C4'-P-C4' energy: -88.564 flat angles P-C4'-P energy: -55.258 tors. eta vs tors. theta energy: -34.781 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: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -738.908565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.908565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.908565 (E_RNA) where: Base-Base interactions energy: -401.360 where: short stacking energy: -230.748 Base-Backbone interact. energy: 0.632 local terms energy: -338.180592 where: bonds (distance) C4'-P energy: -96.289 bonds (distance) P-C4' energy: -102.682 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -33.906 tors. eta vs tors. theta energy: -11.447 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: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -577.663049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.663049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.663049 (E_RNA) where: Base-Base interactions energy: -285.431 where: short stacking energy: -160.962 Base-Backbone interact. energy: 2.956 local terms energy: -295.187987 where: bonds (distance) C4'-P energy: -95.233 bonds (distance) P-C4' energy: -106.391 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: 21.644 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: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1912.398476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.398476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.398476 (E_RNA) where: Base-Base interactions energy: -1305.412 where: short stacking energy: -554.257 Base-Backbone interact. energy: -0.127 local terms energy: -606.859271 where: bonds (distance) C4'-P energy: -118.554 bonds (distance) P-C4' energy: -111.865 flat angles C4'-P-C4' energy: -124.825 flat angles P-C4'-P energy: -92.360 tors. eta vs tors. theta energy: -159.255 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: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1768.884881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.884881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.884881 (E_RNA) where: Base-Base interactions energy: -1188.900 where: short stacking energy: -499.885 Base-Backbone interact. energy: -1.900 local terms energy: -578.084440 where: bonds (distance) C4'-P energy: -125.770 bonds (distance) P-C4' energy: -110.665 flat angles C4'-P-C4' energy: -133.413 flat angles P-C4'-P energy: -73.909 tors. eta vs tors. theta energy: -134.328 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: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1598.192184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.192184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.192184 (E_RNA) where: Base-Base interactions energy: -1069.011 where: short stacking energy: -476.230 Base-Backbone interact. energy: -2.277 local terms energy: -526.904938 where: bonds (distance) C4'-P energy: -122.380 bonds (distance) P-C4' energy: -101.498 flat angles C4'-P-C4' energy: -119.343 flat angles P-C4'-P energy: -66.772 tors. eta vs tors. theta energy: -116.911 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: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1563.281667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.281667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.281667 (E_RNA) where: Base-Base interactions energy: -1019.050 where: short stacking energy: -429.862 Base-Backbone interact. energy: -1.135 local terms energy: -543.097030 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -111.946 flat angles C4'-P-C4' energy: -118.605 flat angles P-C4'-P energy: -75.675 tors. eta vs tors. theta energy: -123.914 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: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1360.657750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.657750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.657750 (E_RNA) where: Base-Base interactions energy: -868.180 where: short stacking energy: -378.128 Base-Backbone interact. energy: 0.721 local terms energy: -493.198521 where: bonds (distance) C4'-P energy: -113.007 bonds (distance) P-C4' energy: -108.217 flat angles C4'-P-C4' energy: -115.129 flat angles P-C4'-P energy: -67.846 tors. eta vs tors. theta energy: -88.999 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: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1282.068990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.068990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.068990 (E_RNA) where: Base-Base interactions energy: -816.131 where: short stacking energy: -389.081 Base-Backbone interact. energy: -3.289 local terms energy: -462.648632 where: bonds (distance) C4'-P energy: -103.550 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -108.895 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: -89.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1105.180922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.180922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.180922 (E_RNA) where: Base-Base interactions energy: -699.362 where: short stacking energy: -331.484 Base-Backbone interact. energy: -0.248 local terms energy: -405.571092 where: bonds (distance) C4'-P energy: -93.617 bonds (distance) P-C4' energy: -104.269 flat angles C4'-P-C4' energy: -97.855 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -55.800 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: 47 Temperature: 1.250000 Total energy: -903.034990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.034990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.034990 (E_RNA) where: Base-Base interactions energy: -499.783 where: short stacking energy: -255.234 Base-Backbone interact. energy: 0.697 local terms energy: -403.948575 where: bonds (distance) C4'-P energy: -97.470 bonds (distance) P-C4' energy: -99.721 flat angles C4'-P-C4' energy: -96.490 flat angles P-C4'-P energy: -74.177 tors. eta vs tors. theta energy: -36.090 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: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -753.795500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.795500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.795500 (E_RNA) where: Base-Base interactions energy: -399.885 where: short stacking energy: -235.389 Base-Backbone interact. energy: 0.589 local terms energy: -354.499840 where: bonds (distance) C4'-P energy: -109.636 bonds (distance) P-C4' energy: -87.013 flat angles C4'-P-C4' energy: -94.542 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -16.406 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: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -613.771815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.771815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.771815 (E_RNA) where: Base-Base interactions energy: -283.787 where: short stacking energy: -173.684 Base-Backbone interact. energy: 6.233 local terms energy: -336.217961 where: bonds (distance) C4'-P energy: -94.138 bonds (distance) P-C4' energy: -108.297 flat angles C4'-P-C4' energy: -76.512 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: 0.227 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: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1927.205995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.205995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.205995 (E_RNA) where: Base-Base interactions energy: -1285.410 where: short stacking energy: -555.422 Base-Backbone interact. energy: -3.557 local terms energy: -638.238502 where: bonds (distance) C4'-P energy: -132.019 bonds (distance) P-C4' energy: -121.517 flat angles C4'-P-C4' energy: -141.275 flat angles P-C4'-P energy: -82.624 tors. eta vs tors. theta energy: -160.804 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1760.086187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.086187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.086187 (E_RNA) where: Base-Base interactions energy: -1197.132 where: short stacking energy: -508.499 Base-Backbone interact. energy: 0.718 local terms energy: -563.671973 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -113.930 flat angles C4'-P-C4' energy: -134.832 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -136.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1627.832503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.832503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.832503 (E_RNA) where: Base-Base interactions energy: -1068.071 where: short stacking energy: -451.388 Base-Backbone interact. energy: -1.821 local terms energy: -557.940432 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -103.740 flat angles C4'-P-C4' energy: -126.807 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -124.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1523.452402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.452402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.452402 (E_RNA) where: Base-Base interactions energy: -992.387 where: short stacking energy: -434.541 Base-Backbone interact. energy: 1.527 local terms energy: -532.593174 where: bonds (distance) C4'-P energy: -109.399 bonds (distance) P-C4' energy: -121.510 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -69.304 tors. eta vs tors. theta energy: -118.352 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: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1361.390426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.390426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.390426 (E_RNA) where: Base-Base interactions energy: -900.838 where: short stacking energy: -408.740 Base-Backbone interact. energy: -2.652 local terms energy: -457.899953 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -100.235 flat angles C4'-P-C4' energy: -109.572 flat angles P-C4'-P energy: -60.894 tors. eta vs tors. theta energy: -95.497 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: 48 Temperature: 1.150000 Total energy: -1287.374614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.374614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.374614 (E_RNA) where: Base-Base interactions energy: -855.465 where: short stacking energy: -368.607 Base-Backbone interact. energy: -1.957 local terms energy: -429.952586 where: bonds (distance) C4'-P energy: -85.762 bonds (distance) P-C4' energy: -102.426 flat angles C4'-P-C4' energy: -107.374 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -79.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1074.803615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.803615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.803615 (E_RNA) where: Base-Base interactions energy: -655.551 where: short stacking energy: -280.453 Base-Backbone interact. energy: -0.805 local terms energy: -418.447776 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -100.796 flat angles C4'-P-C4' energy: -109.097 flat angles P-C4'-P energy: -57.081 tors. eta vs tors. theta energy: -62.408 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: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -847.269603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.269603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.269603 (E_RNA) where: Base-Base interactions energy: -493.940 where: short stacking energy: -252.510 Base-Backbone interact. energy: 3.520 local terms energy: -356.849663 where: bonds (distance) C4'-P energy: -101.030 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -71.783 tors. eta vs tors. theta energy: -23.165 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: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -762.007346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.007346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.007346 (E_RNA) where: Base-Base interactions energy: -402.930 where: short stacking energy: -197.331 Base-Backbone interact. energy: -1.105 local terms energy: -357.972704 where: bonds (distance) C4'-P energy: -91.285 bonds (distance) P-C4' energy: -91.905 flat angles C4'-P-C4' energy: -106.391 flat angles P-C4'-P energy: -47.006 tors. eta vs tors. theta energy: -21.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -597.568878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.568878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.568878 (E_RNA) where: Base-Base interactions energy: -271.998 where: short stacking energy: -179.682 Base-Backbone interact. energy: -3.540 local terms energy: -322.031186 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -92.937 flat angles C4'-P-C4' energy: -92.173 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: 6.311 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: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1918.967000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.967000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.967000 (E_RNA) where: Base-Base interactions energy: -1281.592 where: short stacking energy: -593.061 Base-Backbone interact. energy: -0.809 local terms energy: -636.565917 where: bonds (distance) C4'-P energy: -114.672 bonds (distance) P-C4' energy: -123.015 flat angles C4'-P-C4' energy: -140.809 flat angles P-C4'-P energy: -90.108 tors. eta vs tors. theta energy: -167.962 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: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1807.041321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.041321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.041321 (E_RNA) where: Base-Base interactions energy: -1197.251 where: short stacking energy: -516.793 Base-Backbone interact. energy: -4.638 local terms energy: -605.151615 where: bonds (distance) C4'-P energy: -116.286 bonds (distance) P-C4' energy: -116.245 flat angles C4'-P-C4' energy: -128.835 flat angles P-C4'-P energy: -95.136 tors. eta vs tors. theta energy: -148.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1631.564516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.564516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.564516 (E_RNA) where: Base-Base interactions energy: -1102.873 where: short stacking energy: -485.370 Base-Backbone interact. energy: -3.524 local terms energy: -525.167042 where: bonds (distance) C4'-P energy: -82.505 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -129.434 flat angles P-C4'-P energy: -75.083 tors. eta vs tors. theta energy: -136.455 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: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1543.304975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.304975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.304975 (E_RNA) where: Base-Base interactions energy: -999.803 where: short stacking energy: -438.126 Base-Backbone interact. energy: 0.074 local terms energy: -543.575434 where: bonds (distance) C4'-P energy: -122.260 bonds (distance) P-C4' energy: -120.152 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -122.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1440.451907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.451907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.451907 (E_RNA) where: Base-Base interactions energy: -918.043 where: short stacking energy: -432.205 Base-Backbone interact. energy: -0.955 local terms energy: -521.454440 where: bonds (distance) C4'-P energy: -109.685 bonds (distance) P-C4' energy: -111.072 flat angles C4'-P-C4' energy: -126.143 flat angles P-C4'-P energy: -69.950 tors. eta vs tors. theta energy: -104.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1314.316988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.316988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.316988 (E_RNA) where: Base-Base interactions energy: -819.974 where: short stacking energy: -368.828 Base-Backbone interact. energy: 1.629 local terms energy: -495.972277 where: bonds (distance) C4'-P energy: -117.975 bonds (distance) P-C4' energy: -112.846 flat angles C4'-P-C4' energy: -114.910 flat angles P-C4'-P energy: -64.886 tors. eta vs tors. theta energy: -85.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1201.239993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.239993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.239993 (E_RNA) where: Base-Base interactions energy: -769.868 where: short stacking energy: -354.371 Base-Backbone interact. energy: -3.397 local terms energy: -427.974453 where: bonds (distance) C4'-P energy: -84.514 bonds (distance) P-C4' energy: -91.984 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -64.236 tors. eta vs tors. theta energy: -75.506 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: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -940.302476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.302476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.302476 (E_RNA) where: Base-Base interactions energy: -560.513 where: short stacking energy: -263.100 Base-Backbone interact. energy: -0.455 local terms energy: -379.335098 where: bonds (distance) C4'-P energy: -89.658 bonds (distance) P-C4' energy: -116.052 flat angles C4'-P-C4' energy: -88.779 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -31.901 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: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -717.572586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.572586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.572586 (E_RNA) where: Base-Base interactions energy: -406.357 where: short stacking energy: -194.002 Base-Backbone interact. energy: 1.723 local terms energy: -312.939175 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -103.462 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -48.708 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: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -586.273892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.273892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.273892 (E_RNA) where: Base-Base interactions energy: -260.663 where: short stacking energy: -159.498 Base-Backbone interact. energy: 4.560 local terms energy: -330.170643 where: bonds (distance) C4'-P energy: -86.754 bonds (distance) P-C4' energy: -100.948 flat angles C4'-P-C4' energy: -83.810 flat angles P-C4'-P energy: -48.683 tors. eta vs tors. theta energy: -9.975 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: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1905.633106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.633106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.633106 (E_RNA) where: Base-Base interactions energy: -1313.708 where: short stacking energy: -599.085 Base-Backbone interact. energy: -1.785 local terms energy: -590.139334 where: bonds (distance) C4'-P energy: -108.454 bonds (distance) P-C4' energy: -107.010 flat angles C4'-P-C4' energy: -129.746 flat angles P-C4'-P energy: -81.166 tors. eta vs tors. theta energy: -163.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1782.473150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.473150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.473150 (E_RNA) where: Base-Base interactions energy: -1203.686 where: short stacking energy: -514.120 Base-Backbone interact. energy: -0.295 local terms energy: -578.492167 where: bonds (distance) C4'-P energy: -119.200 bonds (distance) P-C4' energy: -112.000 flat angles C4'-P-C4' energy: -133.325 flat angles P-C4'-P energy: -77.712 tors. eta vs tors. theta energy: -136.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1653.990776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.990776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.990776 (E_RNA) where: Base-Base interactions energy: -1097.300 where: short stacking energy: -476.785 Base-Backbone interact. energy: -2.875 local terms energy: -553.816382 where: bonds (distance) C4'-P energy: -113.665 bonds (distance) P-C4' energy: -105.980 flat angles C4'-P-C4' energy: -121.205 flat angles P-C4'-P energy: -80.060 tors. eta vs tors. theta energy: -132.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1536.270173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.270173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.270173 (E_RNA) where: Base-Base interactions energy: -1005.684 where: short stacking energy: -415.573 Base-Backbone interact. energy: -3.564 local terms energy: -527.022074 where: bonds (distance) C4'-P energy: -111.742 bonds (distance) P-C4' energy: -114.658 flat angles C4'-P-C4' energy: -112.975 flat angles P-C4'-P energy: -71.801 tors. eta vs tors. theta energy: -115.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1407.852124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.852124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.852124 (E_RNA) where: Base-Base interactions energy: -898.645 where: short stacking energy: -427.593 Base-Backbone interact. energy: -2.711 local terms energy: -506.496119 where: bonds (distance) C4'-P energy: -102.335 bonds (distance) P-C4' energy: -108.497 flat angles C4'-P-C4' energy: -119.184 flat angles P-C4'-P energy: -68.372 tors. eta vs tors. theta energy: -108.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1275.594735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.594735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.594735 (E_RNA) where: Base-Base interactions energy: -831.537 where: short stacking energy: -350.849 Base-Backbone interact. energy: -3.068 local terms energy: -440.990357 where: bonds (distance) C4'-P energy: -96.524 bonds (distance) P-C4' energy: -89.240 flat angles C4'-P-C4' energy: -98.079 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -74.091 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: 50 Temperature: 1.200000 Total energy: -1240.050783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.050783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.050783 (E_RNA) where: Base-Base interactions energy: -788.191 where: short stacking energy: -382.866 Base-Backbone interact. energy: 0.378 local terms energy: -452.237525 where: bonds (distance) C4'-P energy: -93.225 bonds (distance) P-C4' energy: -96.730 flat angles C4'-P-C4' energy: -100.724 flat angles P-C4'-P energy: -67.550 tors. eta vs tors. theta energy: -94.009 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: 8, replica: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1001.452315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.452315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.452315 (E_RNA) where: Base-Base interactions energy: -603.979 where: short stacking energy: -313.268 Base-Backbone interact. energy: 3.772 local terms energy: -401.245646 where: bonds (distance) C4'-P energy: -89.616 bonds (distance) P-C4' energy: -107.670 flat angles C4'-P-C4' energy: -109.836 flat angles P-C4'-P energy: -61.842 tors. eta vs tors. theta energy: -32.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -726.049111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.049111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.049111 (E_RNA) where: Base-Base interactions energy: -394.235 where: short stacking energy: -230.193 Base-Backbone interact. energy: 0.992 local terms energy: -332.806729 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -94.792 flat angles C4'-P-C4' energy: -99.114 flat angles P-C4'-P energy: -44.716 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -565.733141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.733141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.733141 (E_RNA) where: Base-Base interactions energy: -260.511 where: short stacking energy: -155.674 Base-Backbone interact. energy: 0.981 local terms energy: -306.203645 where: bonds (distance) C4'-P energy: -87.236 bonds (distance) P-C4' energy: -91.410 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -53.562 tors. eta vs tors. theta energy: 6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1910.222076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.222076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.222076 (E_RNA) where: Base-Base interactions energy: -1286.265 where: short stacking energy: -572.159 Base-Backbone interact. energy: -1.768 local terms energy: -622.188947 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -114.301 flat angles C4'-P-C4' energy: -143.970 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -163.009 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: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1811.806441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.806441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.806441 (E_RNA) where: Base-Base interactions energy: -1222.109 where: short stacking energy: -500.657 Base-Backbone interact. energy: -3.839 local terms energy: -585.858552 where: bonds (distance) C4'-P energy: -119.871 bonds (distance) P-C4' energy: -127.647 flat angles C4'-P-C4' energy: -117.275 flat angles P-C4'-P energy: -89.723 tors. eta vs tors. theta energy: -131.343 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: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1745.069765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.069765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.069765 (E_RNA) where: Base-Base interactions energy: -1169.888 where: short stacking energy: -504.234 Base-Backbone interact. energy: -3.572 local terms energy: -571.609206 where: bonds (distance) C4'-P energy: -115.212 bonds (distance) P-C4' energy: -117.101 flat angles C4'-P-C4' energy: -117.910 flat angles P-C4'-P energy: -79.472 tors. eta vs tors. theta energy: -141.914 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: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1507.366413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.366413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.366413 (E_RNA) where: Base-Base interactions energy: -1005.691 where: short stacking energy: -427.519 Base-Backbone interact. energy: -0.814 local terms energy: -500.861436 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -100.727 flat angles C4'-P-C4' energy: -110.377 flat angles P-C4'-P energy: -73.058 tors. eta vs tors. theta energy: -117.372 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: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1436.718354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.718354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.718354 (E_RNA) where: Base-Base interactions energy: -925.541 where: short stacking energy: -432.846 Base-Backbone interact. energy: -0.807 local terms energy: -510.370966 where: bonds (distance) C4'-P energy: -108.694 bonds (distance) P-C4' energy: -104.851 flat angles C4'-P-C4' energy: -115.998 flat angles P-C4'-P energy: -68.753 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: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1273.510104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.510104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.510104 (E_RNA) where: Base-Base interactions energy: -820.438 where: short stacking energy: -373.454 Base-Backbone interact. energy: -1.940 local terms energy: -451.132217 where: bonds (distance) C4'-P energy: -108.032 bonds (distance) P-C4' energy: -115.065 flat angles C4'-P-C4' energy: -92.540 flat angles P-C4'-P energy: -52.862 tors. eta vs tors. theta energy: -82.634 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: 51 Temperature: 1.200000 Total energy: -1229.172474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.172474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.172474 (E_RNA) where: Base-Base interactions energy: -786.075 where: short stacking energy: -341.350 Base-Backbone interact. energy: -2.468 local terms energy: -440.629034 where: bonds (distance) C4'-P energy: -86.584 bonds (distance) P-C4' energy: -116.351 flat angles C4'-P-C4' energy: -107.879 flat angles P-C4'-P energy: -66.477 tors. eta vs tors. theta energy: -63.338 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: 51 Temperature: 1.250000 Total energy: -1007.540422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.540422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.540422 (E_RNA) where: Base-Base interactions energy: -621.973 where: short stacking energy: -276.459 Base-Backbone interact. energy: 2.250 local terms energy: -387.817441 where: bonds (distance) C4'-P energy: -87.040 bonds (distance) P-C4' energy: -97.050 flat angles C4'-P-C4' energy: -91.564 flat angles P-C4'-P energy: -61.529 tors. eta vs tors. theta energy: -50.635 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: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -740.023565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.023565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.023565 (E_RNA) where: Base-Base interactions energy: -413.102 where: short stacking energy: -202.038 Base-Backbone interact. energy: 3.821 local terms energy: -330.742187 where: bonds (distance) C4'-P energy: -97.800 bonds (distance) P-C4' energy: -99.130 flat angles C4'-P-C4' energy: -80.286 flat angles P-C4'-P energy: -50.340 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -661.093592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.093592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.093592 (E_RNA) where: Base-Base interactions energy: -337.695 where: short stacking energy: -210.079 Base-Backbone interact. energy: 0.692 local terms energy: -324.090858 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -102.686 flat angles C4'-P-C4' energy: -81.096 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: -9.500 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: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1893.487630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.487630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.487630 (E_RNA) where: Base-Base interactions energy: -1282.317 where: short stacking energy: -571.846 Base-Backbone interact. energy: 2.574 local terms energy: -613.745289 where: bonds (distance) C4'-P energy: -107.981 bonds (distance) P-C4' energy: -116.389 flat angles C4'-P-C4' energy: -125.787 flat angles P-C4'-P energy: -97.560 tors. eta vs tors. theta energy: -166.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1819.330322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.330322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.330322 (E_RNA) where: Base-Base interactions energy: -1240.971 where: short stacking energy: -529.189 Base-Backbone interact. energy: -1.427 local terms energy: -576.932905 where: bonds (distance) C4'-P energy: -116.795 bonds (distance) P-C4' energy: -119.173 flat angles C4'-P-C4' energy: -118.163 flat angles P-C4'-P energy: -84.126 tors. eta vs tors. theta energy: -138.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1778.871012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.871012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.871012 (E_RNA) where: Base-Base interactions energy: -1187.286 where: short stacking energy: -497.213 Base-Backbone interact. energy: -1.767 local terms energy: -589.817694 where: bonds (distance) C4'-P energy: -116.081 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -126.915 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -140.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1588.850486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.850486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.850486 (E_RNA) where: Base-Base interactions energy: -1037.737 where: short stacking energy: -455.731 Base-Backbone interact. energy: -0.880 local terms energy: -550.233322 where: bonds (distance) C4'-P energy: -123.213 bonds (distance) P-C4' energy: -108.881 flat angles C4'-P-C4' energy: -112.592 flat angles P-C4'-P energy: -79.173 tors. eta vs tors. theta energy: -126.375 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: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1413.639910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.639910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.639910 (E_RNA) where: Base-Base interactions energy: -913.380 where: short stacking energy: -410.019 Base-Backbone interact. energy: 5.738 local terms energy: -505.997596 where: bonds (distance) C4'-P energy: -100.375 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -117.961 flat angles P-C4'-P energy: -71.703 tors. eta vs tors. theta energy: -112.401 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: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1315.184731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.184731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.184731 (E_RNA) where: Base-Base interactions energy: -836.332 where: short stacking energy: -392.129 Base-Backbone interact. energy: -4.646 local terms energy: -474.207107 where: bonds (distance) C4'-P energy: -88.791 bonds (distance) P-C4' energy: -102.841 flat angles C4'-P-C4' energy: -112.189 flat angles P-C4'-P energy: -73.745 tors. eta vs tors. theta energy: -96.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1126.336865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.336865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.336865 (E_RNA) where: Base-Base interactions energy: -710.780 where: short stacking energy: -319.846 Base-Backbone interact. energy: 0.712 local terms energy: -416.268563 where: bonds (distance) C4'-P energy: -113.759 bonds (distance) P-C4' energy: -94.283 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -46.517 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: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -983.576697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.576697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.576697 (E_RNA) where: Base-Base interactions energy: -593.034 where: short stacking energy: -286.925 Base-Backbone interact. energy: 0.057 local terms energy: -390.599282 where: bonds (distance) C4'-P energy: -101.861 bonds (distance) P-C4' energy: -92.913 flat angles C4'-P-C4' energy: -99.856 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -32.906 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: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -765.548900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.548900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.548900 (E_RNA) where: Base-Base interactions energy: -414.989 where: short stacking energy: -227.643 Base-Backbone interact. energy: -2.564 local terms energy: -347.996151 where: bonds (distance) C4'-P energy: -86.885 bonds (distance) P-C4' energy: -91.812 flat angles C4'-P-C4' energy: -95.119 flat angles P-C4'-P energy: -50.211 tors. eta vs tors. theta energy: -23.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -701.888990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.888990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.888990 (E_RNA) where: Base-Base interactions energy: -348.275 where: short stacking energy: -195.462 Base-Backbone interact. energy: -1.765 local terms energy: -351.848947 where: bonds (distance) C4'-P energy: -110.987 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -87.377 flat angles P-C4'-P energy: -37.736 tors. eta vs tors. theta energy: -23.601 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: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1917.975920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.975920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.975920 (E_RNA) where: Base-Base interactions energy: -1297.202 where: short stacking energy: -549.971 Base-Backbone interact. energy: 2.236 local terms energy: -623.010617 where: bonds (distance) C4'-P energy: -117.547 bonds (distance) P-C4' energy: -109.141 flat angles C4'-P-C4' energy: -136.909 flat angles P-C4'-P energy: -90.881 tors. eta vs tors. theta energy: -168.532 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: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1827.605450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.605450 (E_RNA) where: Base-Base interactions energy: -1265.905 where: short stacking energy: -548.052 Base-Backbone interact. energy: 1.653 local terms energy: -563.353022 where: bonds (distance) C4'-P energy: -121.560 bonds (distance) P-C4' energy: -95.760 flat angles C4'-P-C4' energy: -113.312 flat angles P-C4'-P energy: -88.551 tors. eta vs tors. theta energy: -144.170 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: 3, replica: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1744.041362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.041362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.041362 (E_RNA) where: Base-Base interactions energy: -1177.945 where: short stacking energy: -487.406 Base-Backbone interact. energy: -2.249 local terms energy: -563.847592 where: bonds (distance) C4'-P energy: -112.235 bonds (distance) P-C4' energy: -111.152 flat angles C4'-P-C4' energy: -129.856 flat angles P-C4'-P energy: -84.006 tors. eta vs tors. theta energy: -126.598 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: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1601.633733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.633733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.633733 (E_RNA) where: Base-Base interactions energy: -1050.014 where: short stacking energy: -472.918 Base-Backbone interact. energy: -3.107 local terms energy: -548.513193 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -117.638 flat angles C4'-P-C4' energy: -121.609 flat angles P-C4'-P energy: -77.900 tors. eta vs tors. theta energy: -135.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1464.176975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.176975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.176975 (E_RNA) where: Base-Base interactions energy: -942.335 where: short stacking energy: -420.965 Base-Backbone interact. energy: -2.074 local terms energy: -519.768410 where: bonds (distance) C4'-P energy: -109.559 bonds (distance) P-C4' energy: -112.583 flat angles C4'-P-C4' energy: -121.137 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -112.756 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: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1361.077621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.077621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.077621 (E_RNA) where: Base-Base interactions energy: -869.818 where: short stacking energy: -403.375 Base-Backbone interact. energy: 2.266 local terms energy: -493.526205 where: bonds (distance) C4'-P energy: -119.066 bonds (distance) P-C4' energy: -110.422 flat angles C4'-P-C4' energy: -91.126 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: -100.651 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: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1068.108543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.108543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.108543 (E_RNA) where: Base-Base interactions energy: -646.674 where: short stacking energy: -297.044 Base-Backbone interact. energy: -2.971 local terms energy: -418.463718 where: bonds (distance) C4'-P energy: -115.558 bonds (distance) P-C4' energy: -96.607 flat angles C4'-P-C4' energy: -109.758 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -36.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -971.427449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.427449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.427449 (E_RNA) where: Base-Base interactions energy: -580.549 where: short stacking energy: -282.204 Base-Backbone interact. energy: -3.134 local terms energy: -387.744695 where: bonds (distance) C4'-P energy: -77.159 bonds (distance) P-C4' energy: -106.967 flat angles C4'-P-C4' energy: -106.102 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: -29.902 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: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -719.641757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.641757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.641757 (E_RNA) where: Base-Base interactions energy: -356.341 where: short stacking energy: -198.344 Base-Backbone interact. energy: -2.686 local terms energy: -360.615539 where: bonds (distance) C4'-P energy: -108.958 bonds (distance) P-C4' energy: -114.714 flat angles C4'-P-C4' energy: -85.482 flat angles P-C4'-P energy: -63.411 tors. eta vs tors. theta energy: 11.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -646.461522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.461522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.461522 (E_RNA) where: Base-Base interactions energy: -283.045 where: short stacking energy: -151.333 Base-Backbone interact. energy: -1.123 local terms energy: -362.293509 where: bonds (distance) C4'-P energy: -99.927 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -96.785 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -6.905 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: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1954.609312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.609312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.609312 (E_RNA) where: Base-Base interactions energy: -1329.324 where: short stacking energy: -581.014 Base-Backbone interact. energy: -1.614 local terms energy: -623.672018 where: bonds (distance) C4'-P energy: -129.442 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -130.043 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -157.923 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: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1815.233082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.233082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.233082 (E_RNA) where: Base-Base interactions energy: -1225.443 where: short stacking energy: -524.372 Base-Backbone interact. energy: -1.738 local terms energy: -588.051625 where: bonds (distance) C4'-P energy: -111.421 bonds (distance) P-C4' energy: -107.067 flat angles C4'-P-C4' energy: -140.786 flat angles P-C4'-P energy: -70.447 tors. eta vs tors. theta energy: -158.331 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: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1747.640294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.640294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.640294 (E_RNA) where: Base-Base interactions energy: -1162.900 where: short stacking energy: -482.306 Base-Backbone interact. energy: -1.932 local terms energy: -582.808720 where: bonds (distance) C4'-P energy: -108.591 bonds (distance) P-C4' energy: -104.612 flat angles C4'-P-C4' energy: -130.574 flat angles P-C4'-P energy: -93.101 tors. eta vs tors. theta energy: -145.930 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: 54 Temperature: 1.050000 Total energy: -1637.107377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.107377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.107377 (E_RNA) where: Base-Base interactions energy: -1081.169 where: short stacking energy: -470.934 Base-Backbone interact. energy: -3.986 local terms energy: -551.953063 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -108.928 flat angles C4'-P-C4' energy: -125.229 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -135.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1495.234158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.234158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.234158 (E_RNA) where: Base-Base interactions energy: -988.520 where: short stacking energy: -446.680 Base-Backbone interact. energy: -2.515 local terms energy: -504.198726 where: bonds (distance) C4'-P energy: -101.613 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -120.481 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: -117.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1387.502468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.502468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.502468 (E_RNA) where: Base-Base interactions energy: -944.277 where: short stacking energy: -409.679 Base-Backbone interact. energy: -2.471 local terms energy: -440.754162 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -96.354 flat angles C4'-P-C4' energy: -95.925 flat angles P-C4'-P energy: -61.782 tors. eta vs tors. theta energy: -85.290 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: 54 Temperature: 1.200000 Total energy: -1112.425640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.425640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.425640 (E_RNA) where: Base-Base interactions energy: -684.895 where: short stacking energy: -333.575 Base-Backbone interact. energy: -0.719 local terms energy: -426.811400 where: bonds (distance) C4'-P energy: -87.019 bonds (distance) P-C4' energy: -110.466 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -67.778 tors. eta vs tors. theta energy: -60.870 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: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -945.467801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.467801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.467801 (E_RNA) where: Base-Base interactions energy: -575.569 where: short stacking energy: -268.609 Base-Backbone interact. energy: -3.057 local terms energy: -366.841344 where: bonds (distance) C4'-P energy: -97.529 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -103.578 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -25.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -664.868768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.868768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.868768 (E_RNA) where: Base-Base interactions energy: -292.765 where: short stacking energy: -190.885 Base-Backbone interact. energy: -1.650 local terms energy: -370.454022 where: bonds (distance) C4'-P energy: -113.876 bonds (distance) P-C4' energy: -100.105 flat angles C4'-P-C4' energy: -92.519 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -10.912 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: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -598.295462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.295462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.295462 (E_RNA) where: Base-Base interactions energy: -313.153 where: short stacking energy: -165.473 Base-Backbone interact. energy: 2.295 local terms energy: -287.437013 where: bonds (distance) C4'-P energy: -90.558 bonds (distance) P-C4' energy: -82.060 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -36.262 tors. eta vs tors. theta energy: -5.747 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: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1948.476196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.476196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.476196 (E_RNA) where: Base-Base interactions energy: -1295.318 where: short stacking energy: -566.941 Base-Backbone interact. energy: -1.993 local terms energy: -651.164640 where: bonds (distance) C4'-P energy: -127.534 bonds (distance) P-C4' energy: -120.836 flat angles C4'-P-C4' energy: -131.780 flat angles P-C4'-P energy: -95.740 tors. eta vs tors. theta energy: -175.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1826.594839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.594839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.594839 (E_RNA) where: Base-Base interactions energy: -1227.928 where: short stacking energy: -543.672 Base-Backbone interact. energy: -5.256 local terms energy: -593.411055 where: bonds (distance) C4'-P energy: -117.050 bonds (distance) P-C4' energy: -116.682 flat angles C4'-P-C4' energy: -115.933 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -164.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1785.610904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.610904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.610904 (E_RNA) where: Base-Base interactions energy: -1214.739 where: short stacking energy: -505.044 Base-Backbone interact. energy: 2.061 local terms energy: -572.933477 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -114.622 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -86.852 tors. eta vs tors. theta energy: -135.189 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: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1677.847355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.847355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.847355 (E_RNA) where: Base-Base interactions energy: -1126.847 where: short stacking energy: -485.310 Base-Backbone interact. energy: -0.095 local terms energy: -550.905290 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -113.402 flat angles C4'-P-C4' energy: -109.598 flat angles P-C4'-P energy: -88.524 tors. eta vs tors. theta energy: -142.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1506.794198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.794198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.794198 (E_RNA) where: Base-Base interactions energy: -980.938 where: short stacking energy: -437.127 Base-Backbone interact. energy: -3.949 local terms energy: -521.907088 where: bonds (distance) C4'-P energy: -105.371 bonds (distance) P-C4' energy: -115.731 flat angles C4'-P-C4' energy: -120.143 flat angles P-C4'-P energy: -64.067 tors. eta vs tors. theta energy: -116.595 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: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1361.265866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.265866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.265866 (E_RNA) where: Base-Base interactions energy: -883.262 where: short stacking energy: -414.021 Base-Backbone interact. energy: -4.530 local terms energy: -473.473805 where: bonds (distance) C4'-P energy: -97.474 bonds (distance) P-C4' energy: -89.737 flat angles C4'-P-C4' energy: -118.786 flat angles P-C4'-P energy: -65.234 tors. eta vs tors. theta energy: -102.243 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: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1024.196257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.196257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.196257 (E_RNA) where: Base-Base interactions energy: -626.848 where: short stacking energy: -314.972 Base-Backbone interact. energy: -3.096 local terms energy: -394.253195 where: bonds (distance) C4'-P energy: -88.278 bonds (distance) P-C4' energy: -110.966 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -58.966 tors. eta vs tors. theta energy: -45.828 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: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -940.747155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.747155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.747155 (E_RNA) where: Base-Base interactions energy: -574.566 where: short stacking energy: -264.417 Base-Backbone interact. energy: -2.394 local terms energy: -363.787608 where: bonds (distance) C4'-P energy: -91.635 bonds (distance) P-C4' energy: -105.130 flat angles C4'-P-C4' energy: -88.443 flat angles P-C4'-P energy: -60.411 tors. eta vs tors. theta energy: -18.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -701.989888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.989888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.989888 (E_RNA) where: Base-Base interactions energy: -334.717 where: short stacking energy: -168.860 Base-Backbone interact. energy: -0.196 local terms energy: -367.077412 where: bonds (distance) C4'-P energy: -108.417 bonds (distance) P-C4' energy: -107.118 flat angles C4'-P-C4' energy: -83.883 flat angles P-C4'-P energy: -73.317 tors. eta vs tors. theta energy: 5.657 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: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -622.451086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.451086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.451086 (E_RNA) where: Base-Base interactions energy: -291.210 where: short stacking energy: -144.296 Base-Backbone interact. energy: -1.761 local terms energy: -329.479897 where: bonds (distance) C4'-P energy: -102.693 bonds (distance) P-C4' energy: -94.148 flat angles C4'-P-C4' energy: -100.269 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: 10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1926.101375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.101375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.101375 (E_RNA) where: Base-Base interactions energy: -1318.639 where: short stacking energy: -558.018 Base-Backbone interact. energy: -3.462 local terms energy: -603.999977 where: bonds (distance) C4'-P energy: -118.882 bonds (distance) P-C4' energy: -119.839 flat angles C4'-P-C4' energy: -120.258 flat angles P-C4'-P energy: -89.078 tors. eta vs tors. theta energy: -155.944 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: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1848.459612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.459612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.459612 (E_RNA) where: Base-Base interactions energy: -1270.342 where: short stacking energy: -528.110 Base-Backbone interact. energy: -5.072 local terms energy: -573.045798 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -119.055 flat angles P-C4'-P energy: -77.416 tors. eta vs tors. theta energy: -147.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1747.978537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.978537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.978537 (E_RNA) where: Base-Base interactions energy: -1200.151 where: short stacking energy: -481.479 Base-Backbone interact. energy: -5.745 local terms energy: -542.081916 where: bonds (distance) C4'-P energy: -105.445 bonds (distance) P-C4' energy: -111.895 flat angles C4'-P-C4' energy: -107.814 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -130.930 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: 56 Temperature: 1.050000 Total energy: -1698.658330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.658330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.658330 (E_RNA) where: Base-Base interactions energy: -1161.761 where: short stacking energy: -473.733 Base-Backbone interact. energy: 3.023 local terms energy: -539.920330 where: bonds (distance) C4'-P energy: -115.891 bonds (distance) P-C4' energy: -102.133 flat angles C4'-P-C4' energy: -118.098 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -131.435 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: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1429.197104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.197104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.197104 (E_RNA) where: Base-Base interactions energy: -939.890 where: short stacking energy: -413.640 Base-Backbone interact. energy: -2.030 local terms energy: -487.277850 where: bonds (distance) C4'-P energy: -98.362 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -115.023 flat angles P-C4'-P energy: -71.891 tors. eta vs tors. theta energy: -100.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1380.477867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.477867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.477867 (E_RNA) where: Base-Base interactions energy: -920.710 where: short stacking energy: -405.028 Base-Backbone interact. energy: -0.598 local terms energy: -459.170586 where: bonds (distance) C4'-P energy: -103.830 bonds (distance) P-C4' energy: -90.566 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -89.057 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: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1046.014554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.014554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.014554 (E_RNA) where: Base-Base interactions energy: -617.519 where: short stacking energy: -298.612 Base-Backbone interact. energy: 1.080 local terms energy: -429.575490 where: bonds (distance) C4'-P energy: -99.570 bonds (distance) P-C4' energy: -106.607 flat angles C4'-P-C4' energy: -102.745 flat angles P-C4'-P energy: -73.138 tors. eta vs tors. theta energy: -47.516 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: 56 Temperature: 1.250000 Total energy: -936.130957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.130957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.130957 (E_RNA) where: Base-Base interactions energy: -570.164 where: short stacking energy: -271.776 Base-Backbone interact. energy: -3.468 local terms energy: -362.498430 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -86.884 flat angles C4'-P-C4' energy: -93.237 flat angles P-C4'-P energy: -56.223 tors. eta vs tors. theta energy: -31.335 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: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -701.612883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.612883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.612883 (E_RNA) where: Base-Base interactions energy: -348.670 where: short stacking energy: -209.996 Base-Backbone interact. energy: -0.064 local terms energy: -352.878803 where: bonds (distance) C4'-P energy: -95.012 bonds (distance) P-C4' energy: -89.465 flat angles C4'-P-C4' energy: -92.730 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -26.131 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: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -680.588872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.588872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.588872 (E_RNA) where: Base-Base interactions energy: -380.468 where: short stacking energy: -176.087 Base-Backbone interact. energy: -2.605 local terms energy: -297.515559 where: bonds (distance) C4'-P energy: -95.202 bonds (distance) P-C4' energy: -97.769 flat angles C4'-P-C4' energy: -87.746 flat angles P-C4'-P energy: -37.213 tors. eta vs tors. theta energy: 20.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1917.776336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.776336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.776336 (E_RNA) where: Base-Base interactions energy: -1330.215 where: short stacking energy: -546.994 Base-Backbone interact. energy: -2.648 local terms energy: -584.913024 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -129.450 flat angles C4'-P-C4' energy: -129.262 flat angles P-C4'-P energy: -74.067 tors. eta vs tors. theta energy: -147.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1827.698711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.698711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.698711 (E_RNA) where: Base-Base interactions energy: -1240.238 where: short stacking energy: -539.107 Base-Backbone interact. energy: -1.122 local terms energy: -586.338378 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -118.084 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -154.382 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: 3, replica: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1792.120437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.120437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.120437 (E_RNA) where: Base-Base interactions energy: -1219.865 where: short stacking energy: -539.304 Base-Backbone interact. energy: -1.199 local terms energy: -571.056297 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -97.938 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -77.293 tors. eta vs tors. theta energy: -145.609 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: 57 Temperature: 1.050000 Total energy: -1654.236634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.236634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.236634 (E_RNA) where: Base-Base interactions energy: -1135.166 where: short stacking energy: -453.438 Base-Backbone interact. energy: -0.917 local terms energy: -518.153672 where: bonds (distance) C4'-P energy: -107.735 bonds (distance) P-C4' energy: -98.152 flat angles C4'-P-C4' energy: -119.642 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -131.692 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: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1397.275284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.275284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.275284 (E_RNA) where: Base-Base interactions energy: -897.430 where: short stacking energy: -403.635 Base-Backbone interact. energy: -1.489 local terms energy: -498.355801 where: bonds (distance) C4'-P energy: -102.144 bonds (distance) P-C4' energy: -94.790 flat angles C4'-P-C4' energy: -112.420 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -113.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1446.709404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.709404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.709404 (E_RNA) where: Base-Base interactions energy: -944.550 where: short stacking energy: -434.442 Base-Backbone interact. energy: -1.005 local terms energy: -501.154757 where: bonds (distance) C4'-P energy: -82.682 bonds (distance) P-C4' energy: -109.092 flat angles C4'-P-C4' energy: -126.360 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -113.370 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: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1017.931378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.931378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.931378 (E_RNA) where: Base-Base interactions energy: -607.157 where: short stacking energy: -270.708 Base-Backbone interact. energy: -0.487 local terms energy: -410.286446 where: bonds (distance) C4'-P energy: -100.248 bonds (distance) P-C4' energy: -122.508 flat angles C4'-P-C4' energy: -97.245 flat angles P-C4'-P energy: -56.060 tors. eta vs tors. theta energy: -34.224 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: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -970.151490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.151490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.151490 (E_RNA) where: Base-Base interactions energy: -560.958 where: short stacking energy: -256.925 Base-Backbone interact. energy: -4.042 local terms energy: -405.152200 where: bonds (distance) C4'-P energy: -105.346 bonds (distance) P-C4' energy: -116.858 flat angles C4'-P-C4' energy: -106.695 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: -39.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -721.674531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.674531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.674531 (E_RNA) where: Base-Base interactions energy: -378.369 where: short stacking energy: -163.083 Base-Backbone interact. energy: -0.876 local terms energy: -342.429824 where: bonds (distance) C4'-P energy: -94.375 bonds (distance) P-C4' energy: -110.941 flat angles C4'-P-C4' energy: -85.951 flat angles P-C4'-P energy: -51.425 tors. eta vs tors. theta energy: 0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -742.206579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.206579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.206579 (E_RNA) where: Base-Base interactions energy: -404.378 where: short stacking energy: -179.379 Base-Backbone interact. energy: -1.601 local terms energy: -336.227434 where: bonds (distance) C4'-P energy: -85.773 bonds (distance) P-C4' energy: -106.474 flat angles C4'-P-C4' energy: -86.931 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: 2.033 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: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1923.639480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.639480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.639480 (E_RNA) where: Base-Base interactions energy: -1299.595 where: short stacking energy: -551.486 Base-Backbone interact. energy: -3.630 local terms energy: -620.413929 where: bonds (distance) C4'-P energy: -119.665 bonds (distance) P-C4' energy: -117.128 flat angles C4'-P-C4' energy: -127.416 flat angles P-C4'-P energy: -96.848 tors. eta vs tors. theta energy: -159.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1809.287397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.287397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.287397 (E_RNA) where: Base-Base interactions energy: -1238.332 where: short stacking energy: -505.191 Base-Backbone interact. energy: -1.253 local terms energy: -569.702739 where: bonds (distance) C4'-P energy: -105.084 bonds (distance) P-C4' energy: -114.090 flat angles C4'-P-C4' energy: -126.652 flat angles P-C4'-P energy: -79.327 tors. eta vs tors. theta energy: -144.550 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: 58 Temperature: 1.000000 Total energy: -1780.161831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.161831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.161831 (E_RNA) where: Base-Base interactions energy: -1200.995 where: short stacking energy: -502.296 Base-Backbone interact. energy: -4.343 local terms energy: -574.823855 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -117.830 flat angles C4'-P-C4' energy: -123.814 flat angles P-C4'-P energy: -82.371 tors. eta vs tors. theta energy: -135.552 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: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1632.333586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.333586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.333586 (E_RNA) where: Base-Base interactions energy: -1094.676 where: short stacking energy: -452.168 Base-Backbone interact. energy: -4.070 local terms energy: -533.587838 where: bonds (distance) C4'-P energy: -97.282 bonds (distance) P-C4' energy: -111.008 flat angles C4'-P-C4' energy: -112.984 flat angles P-C4'-P energy: -84.339 tors. eta vs tors. theta energy: -127.974 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: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1510.892351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.892351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.892351 (E_RNA) where: Base-Base interactions energy: -1001.176 where: short stacking energy: -415.169 Base-Backbone interact. energy: -3.037 local terms energy: -506.680231 where: bonds (distance) C4'-P energy: -110.515 bonds (distance) P-C4' energy: -104.879 flat angles C4'-P-C4' energy: -121.672 flat angles P-C4'-P energy: -65.680 tors. eta vs tors. theta energy: -103.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1346.800640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.800640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.800640 (E_RNA) where: Base-Base interactions energy: -892.419 where: short stacking energy: -389.489 Base-Backbone interact. energy: -2.261 local terms energy: -452.120312 where: bonds (distance) C4'-P energy: -88.025 bonds (distance) P-C4' energy: -100.292 flat angles C4'-P-C4' energy: -103.435 flat angles P-C4'-P energy: -67.676 tors. eta vs tors. theta energy: -92.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -990.019281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.019281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.019281 (E_RNA) where: Base-Base interactions energy: -579.298 where: short stacking energy: -291.443 Base-Backbone interact. energy: 4.520 local terms energy: -415.241427 where: bonds (distance) C4'-P energy: -108.261 bonds (distance) P-C4' energy: -88.979 flat angles C4'-P-C4' energy: -90.143 flat angles P-C4'-P energy: -81.324 tors. eta vs tors. theta energy: -46.533 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: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -958.267266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.267266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.267266 (E_RNA) where: Base-Base interactions energy: -580.751 where: short stacking energy: -278.191 Base-Backbone interact. energy: -0.628 local terms energy: -376.887993 where: bonds (distance) C4'-P energy: -85.582 bonds (distance) P-C4' energy: -108.567 flat angles C4'-P-C4' energy: -91.178 flat angles P-C4'-P energy: -34.133 tors. eta vs tors. theta energy: -57.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -728.355543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.355543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.355543 (E_RNA) where: Base-Base interactions energy: -393.676 where: short stacking energy: -217.698 Base-Backbone interact. energy: 0.153 local terms energy: -334.831979 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -114.629 flat angles C4'-P-C4' energy: -84.373 flat angles P-C4'-P energy: -31.671 tors. eta vs tors. theta energy: -9.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -677.118233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.118233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.118233 (E_RNA) where: Base-Base interactions energy: -346.447 where: short stacking energy: -207.255 Base-Backbone interact. energy: -2.210 local terms energy: -328.461508 where: bonds (distance) C4'-P energy: -90.914 bonds (distance) P-C4' energy: -90.118 flat angles C4'-P-C4' energy: -91.893 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1924.912038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.912038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.912038 (E_RNA) where: Base-Base interactions energy: -1314.644 where: short stacking energy: -556.884 Base-Backbone interact. energy: -4.054 local terms energy: -606.213733 where: bonds (distance) C4'-P energy: -103.992 bonds (distance) P-C4' energy: -117.481 flat angles C4'-P-C4' energy: -135.635 flat angles P-C4'-P energy: -87.246 tors. eta vs tors. theta energy: -161.860 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: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1817.731240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.731240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.731240 (E_RNA) where: Base-Base interactions energy: -1245.818 where: short stacking energy: -530.379 Base-Backbone interact. energy: 3.594 local terms energy: -575.507528 where: bonds (distance) C4'-P energy: -104.094 bonds (distance) P-C4' energy: -123.831 flat angles C4'-P-C4' energy: -126.196 flat angles P-C4'-P energy: -81.245 tors. eta vs tors. theta energy: -140.142 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: 3, replica: 9 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1749.068189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.068189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.068189 (E_RNA) where: Base-Base interactions energy: -1200.595 where: short stacking energy: -507.827 Base-Backbone interact. energy: -0.481 local terms energy: -547.992240 where: bonds (distance) C4'-P energy: -101.320 bonds (distance) P-C4' energy: -108.797 flat angles C4'-P-C4' energy: -127.040 flat angles P-C4'-P energy: -75.272 tors. eta vs tors. theta energy: -135.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1653.942565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.942565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.942565 (E_RNA) where: Base-Base interactions energy: -1099.471 where: short stacking energy: -479.548 Base-Backbone interact. energy: -3.731 local terms energy: -550.740364 where: bonds (distance) C4'-P energy: -103.028 bonds (distance) P-C4' energy: -117.491 flat angles C4'-P-C4' energy: -116.773 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -132.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1441.211318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.211318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.211318 (E_RNA) where: Base-Base interactions energy: -931.143 where: short stacking energy: -383.344 Base-Backbone interact. energy: -2.047 local terms energy: -508.021392 where: bonds (distance) C4'-P energy: -111.133 bonds (distance) P-C4' energy: -115.689 flat angles C4'-P-C4' energy: -116.851 flat angles P-C4'-P energy: -74.155 tors. eta vs tors. theta energy: -90.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1383.533326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.533326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.533326 (E_RNA) where: Base-Base interactions energy: -898.713 where: short stacking energy: -402.449 Base-Backbone interact. energy: 2.206 local terms energy: -487.026429 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -101.639 flat angles C4'-P-C4' energy: -110.944 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -93.689 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: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1016.645296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.645296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.645296 (E_RNA) where: Base-Base interactions energy: -605.008 where: short stacking energy: -302.391 Base-Backbone interact. energy: 0.818 local terms energy: -412.455412 where: bonds (distance) C4'-P energy: -87.609 bonds (distance) P-C4' energy: -116.202 flat angles C4'-P-C4' energy: -94.392 flat angles P-C4'-P energy: -69.471 tors. eta vs tors. theta energy: -44.781 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: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -966.936577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.936577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.936577 (E_RNA) where: Base-Base interactions energy: -531.917 where: short stacking energy: -269.340 Base-Backbone interact. energy: -2.063 local terms energy: -432.956952 where: bonds (distance) C4'-P energy: -95.779 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -95.756 flat angles P-C4'-P energy: -71.153 tors. eta vs tors. theta energy: -51.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -736.217174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.217174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.217174 (E_RNA) where: Base-Base interactions energy: -387.563 where: short stacking energy: -207.400 Base-Backbone interact. energy: 1.336 local terms energy: -349.989722 where: bonds (distance) C4'-P energy: -94.513 bonds (distance) P-C4' energy: -104.700 flat angles C4'-P-C4' energy: -111.318 flat angles P-C4'-P energy: -24.441 tors. eta vs tors. theta energy: -15.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -628.027712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.027712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.027712 (E_RNA) where: Base-Base interactions energy: -297.977 where: short stacking energy: -160.591 Base-Backbone interact. energy: -3.351 local terms energy: -326.699274 where: bonds (distance) C4'-P energy: -89.505 bonds (distance) P-C4' energy: -101.413 flat angles C4'-P-C4' energy: -82.585 flat angles P-C4'-P energy: -44.946 tors. eta vs tors. theta energy: -8.251 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: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1963.782287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.782287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.782287 (E_RNA) where: Base-Base interactions energy: -1346.705 where: short stacking energy: -584.888 Base-Backbone interact. energy: -5.982 local terms energy: -611.094867 where: bonds (distance) C4'-P energy: -108.761 bonds (distance) P-C4' energy: -123.717 flat angles C4'-P-C4' energy: -130.492 flat angles P-C4'-P energy: -80.103 tors. eta vs tors. theta energy: -168.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1857.431090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.431090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.431090 (E_RNA) where: Base-Base interactions energy: -1264.524 where: short stacking energy: -525.632 Base-Backbone interact. energy: -4.580 local terms energy: -588.327464 where: bonds (distance) C4'-P energy: -113.733 bonds (distance) P-C4' energy: -118.343 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -78.049 tors. eta vs tors. theta energy: -143.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1785.331463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.331463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.331463 (E_RNA) where: Base-Base interactions energy: -1216.260 where: short stacking energy: -497.588 Base-Backbone interact. energy: -3.560 local terms energy: -565.510894 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -109.381 flat angles C4'-P-C4' energy: -124.393 flat angles P-C4'-P energy: -86.411 tors. eta vs tors. theta energy: -138.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1630.436911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.436911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.436911 (E_RNA) where: Base-Base interactions energy: -1084.173 where: short stacking energy: -497.171 Base-Backbone interact. energy: -0.447 local terms energy: -545.817086 where: bonds (distance) C4'-P energy: -103.264 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -118.487 flat angles P-C4'-P energy: -81.112 tors. eta vs tors. theta energy: -146.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1487.452044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.452044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.452044 (E_RNA) where: Base-Base interactions energy: -964.170 where: short stacking energy: -434.832 Base-Backbone interact. energy: 0.017 local terms energy: -523.299580 where: bonds (distance) C4'-P energy: -88.937 bonds (distance) P-C4' energy: -132.111 flat angles C4'-P-C4' energy: -121.063 flat angles P-C4'-P energy: -71.690 tors. eta vs tors. theta energy: -109.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1359.529503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.529503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.529503 (E_RNA) where: Base-Base interactions energy: -877.574 where: short stacking energy: -387.795 Base-Backbone interact. energy: 1.839 local terms energy: -483.795228 where: bonds (distance) C4'-P energy: -110.037 bonds (distance) P-C4' energy: -118.271 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -105.570 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: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -997.798205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.798205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.798205 (E_RNA) where: Base-Base interactions energy: -595.791 where: short stacking energy: -301.100 Base-Backbone interact. energy: 0.974 local terms energy: -402.981316 where: bonds (distance) C4'-P energy: -91.108 bonds (distance) P-C4' energy: -120.996 flat angles C4'-P-C4' energy: -101.638 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -44.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -989.815123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.815123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.815123 (E_RNA) where: Base-Base interactions energy: -601.769 where: short stacking energy: -287.747 Base-Backbone interact. energy: -3.866 local terms energy: -384.180409 where: bonds (distance) C4'-P energy: -92.953 bonds (distance) P-C4' energy: -98.161 flat angles C4'-P-C4' energy: -82.684 flat angles P-C4'-P energy: -79.824 tors. eta vs tors. theta energy: -30.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -711.998660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.998660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.998660 (E_RNA) where: Base-Base interactions energy: -377.179 where: short stacking energy: -203.188 Base-Backbone interact. energy: 3.279 local terms energy: -338.098748 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -98.705 flat angles C4'-P-C4' energy: -90.176 flat angles P-C4'-P energy: -60.143 tors. eta vs tors. theta energy: 2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -638.296181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.296181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.296181 (E_RNA) where: Base-Base interactions energy: -293.026 where: short stacking energy: -170.127 Base-Backbone interact. energy: -1.168 local terms energy: -344.102343 where: bonds (distance) C4'-P energy: -95.829 bonds (distance) P-C4' energy: -106.233 flat angles C4'-P-C4' energy: -69.515 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -16.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1943.863455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.863455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.863455 (E_RNA) where: Base-Base interactions energy: -1307.597 where: short stacking energy: -569.690 Base-Backbone interact. energy: -2.972 local terms energy: -633.294224 where: bonds (distance) C4'-P energy: -116.288 bonds (distance) P-C4' energy: -127.638 flat angles C4'-P-C4' energy: -136.680 flat angles P-C4'-P energy: -88.224 tors. eta vs tors. theta energy: -164.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1837.734205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.734205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.734205 (E_RNA) where: Base-Base interactions energy: -1249.363 where: short stacking energy: -534.898 Base-Backbone interact. energy: -4.785 local terms energy: -583.585614 where: bonds (distance) C4'-P energy: -99.592 bonds (distance) P-C4' energy: -119.367 flat angles C4'-P-C4' energy: -127.965 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -153.094 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: 61 Temperature: 1.000000 Total energy: -1801.714802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.714802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.714802 (E_RNA) where: Base-Base interactions energy: -1242.926 where: short stacking energy: -504.889 Base-Backbone interact. energy: -3.364 local terms energy: -555.424802 where: bonds (distance) C4'-P energy: -102.392 bonds (distance) P-C4' energy: -120.058 flat angles C4'-P-C4' energy: -119.346 flat angles P-C4'-P energy: -70.996 tors. eta vs tors. theta energy: -142.633 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: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1591.593340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.593340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.593340 (E_RNA) where: Base-Base interactions energy: -1027.618 where: short stacking energy: -454.067 Base-Backbone interact. energy: -1.869 local terms energy: -562.106499 where: bonds (distance) C4'-P energy: -105.717 bonds (distance) P-C4' energy: -120.606 flat angles C4'-P-C4' energy: -128.570 flat angles P-C4'-P energy: -76.936 tors. eta vs tors. theta energy: -130.277 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: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1585.295549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.295549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.295549 (E_RNA) where: Base-Base interactions energy: -1064.516 where: short stacking energy: -460.416 Base-Backbone interact. energy: -0.295 local terms energy: -520.485271 where: bonds (distance) C4'-P energy: -107.222 bonds (distance) P-C4' energy: -113.944 flat angles C4'-P-C4' energy: -115.353 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -120.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1377.136839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.136839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.136839 (E_RNA) where: Base-Base interactions energy: -874.942 where: short stacking energy: -405.613 Base-Backbone interact. energy: -1.701 local terms energy: -500.494053 where: bonds (distance) C4'-P energy: -122.972 bonds (distance) P-C4' energy: -110.154 flat angles C4'-P-C4' energy: -97.603 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -102.478 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: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1038.561979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.561979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.561979 (E_RNA) where: Base-Base interactions energy: -605.971 where: short stacking energy: -305.796 Base-Backbone interact. energy: 4.391 local terms energy: -436.982350 where: bonds (distance) C4'-P energy: -100.768 bonds (distance) P-C4' energy: -105.067 flat angles C4'-P-C4' energy: -107.776 flat angles P-C4'-P energy: -72.531 tors. eta vs tors. theta energy: -50.841 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: 61 Temperature: 1.250000 Total energy: -1019.230435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.230435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.230435 (E_RNA) where: Base-Base interactions energy: -604.688 where: short stacking energy: -279.126 Base-Backbone interact. energy: 0.111 local terms energy: -414.653611 where: bonds (distance) C4'-P energy: -102.617 bonds (distance) P-C4' energy: -98.766 flat angles C4'-P-C4' energy: -97.365 flat angles P-C4'-P energy: -66.541 tors. eta vs tors. theta energy: -49.365 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: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -701.486254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.486254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.486254 (E_RNA) where: Base-Base interactions energy: -338.794 where: short stacking energy: -184.487 Base-Backbone interact. energy: -1.681 local terms energy: -361.010981 where: bonds (distance) C4'-P energy: -109.486 bonds (distance) P-C4' energy: -100.922 flat angles C4'-P-C4' energy: -86.666 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -16.775 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: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -651.010055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.010055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.010055 (E_RNA) where: Base-Base interactions energy: -309.102 where: short stacking energy: -169.201 Base-Backbone interact. energy: 2.241 local terms energy: -344.148407 where: bonds (distance) C4'-P energy: -95.654 bonds (distance) P-C4' energy: -91.428 flat angles C4'-P-C4' energy: -88.792 flat angles P-C4'-P energy: -65.795 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1939.109195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.109195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.109195 (E_RNA) where: Base-Base interactions energy: -1301.495 where: short stacking energy: -568.403 Base-Backbone interact. energy: -4.557 local terms energy: -633.057869 where: bonds (distance) C4'-P energy: -122.433 bonds (distance) P-C4' energy: -122.687 flat angles C4'-P-C4' energy: -136.719 flat angles P-C4'-P energy: -81.503 tors. eta vs tors. theta energy: -169.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1865.616192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.616192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.616192 (E_RNA) where: Base-Base interactions energy: -1253.577 where: short stacking energy: -546.590 Base-Backbone interact. energy: -6.043 local terms energy: -605.996581 where: bonds (distance) C4'-P energy: -111.368 bonds (distance) P-C4' energy: -112.026 flat angles C4'-P-C4' energy: -135.720 flat angles P-C4'-P energy: -83.344 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: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1825.831004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.831004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.831004 (E_RNA) where: Base-Base interactions energy: -1242.064 where: short stacking energy: -522.403 Base-Backbone interact. energy: -5.229 local terms energy: -578.537818 where: bonds (distance) C4'-P energy: -123.544 bonds (distance) P-C4' energy: -99.047 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -86.049 tors. eta vs tors. theta energy: -151.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1607.979939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.979939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.979939 (E_RNA) where: Base-Base interactions energy: -1053.113 where: short stacking energy: -419.424 Base-Backbone interact. energy: 0.954 local terms energy: -555.821168 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -119.885 flat angles C4'-P-C4' energy: -122.946 flat angles P-C4'-P energy: -89.280 tors. eta vs tors. theta energy: -126.758 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: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1624.932074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.932074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.932074 (E_RNA) where: Base-Base interactions energy: -1090.346 where: short stacking energy: -466.983 Base-Backbone interact. energy: -1.483 local terms energy: -533.102185 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -100.795 flat angles C4'-P-C4' energy: -120.810 flat angles P-C4'-P energy: -72.290 tors. eta vs tors. theta energy: -135.350 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: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1349.341131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.341131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.341131 (E_RNA) where: Base-Base interactions energy: -840.196 where: short stacking energy: -381.567 Base-Backbone interact. energy: -2.123 local terms energy: -507.022304 where: bonds (distance) C4'-P energy: -104.387 bonds (distance) P-C4' energy: -108.800 flat angles C4'-P-C4' energy: -119.784 flat angles P-C4'-P energy: -81.503 tors. eta vs tors. theta energy: -92.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1118.594107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.594107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.594107 (E_RNA) where: Base-Base interactions energy: -690.992 where: short stacking energy: -351.367 Base-Backbone interact. energy: 1.312 local terms energy: -428.913629 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -97.361 flat angles C4'-P-C4' energy: -103.072 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -68.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -936.434215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.434215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.434215 (E_RNA) where: Base-Base interactions energy: -564.599 where: short stacking energy: -265.733 Base-Backbone interact. energy: -1.977 local terms energy: -369.858296 where: bonds (distance) C4'-P energy: -95.340 bonds (distance) P-C4' energy: -92.061 flat angles C4'-P-C4' energy: -96.278 flat angles P-C4'-P energy: -51.926 tors. eta vs tors. theta energy: -34.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -690.791082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.791082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.791082 (E_RNA) where: Base-Base interactions energy: -348.715 where: short stacking energy: -188.955 Base-Backbone interact. energy: 0.314 local terms energy: -342.389751 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -95.772 flat angles C4'-P-C4' energy: -102.451 flat angles P-C4'-P energy: -41.031 tors. eta vs tors. theta energy: -11.999 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: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -668.980692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.980692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.980692 (E_RNA) where: Base-Base interactions energy: -358.474 where: short stacking energy: -209.117 Base-Backbone interact. energy: 6.593 local terms energy: -317.099187 where: bonds (distance) C4'-P energy: -89.033 bonds (distance) P-C4' energy: -105.164 flat angles C4'-P-C4' energy: -88.307 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: 5.233 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: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1954.354746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.354746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.354746 (E_RNA) where: Base-Base interactions energy: -1334.749 where: short stacking energy: -582.990 Base-Backbone interact. energy: 0.399 local terms energy: -620.004923 where: bonds (distance) C4'-P energy: -111.850 bonds (distance) P-C4' energy: -118.639 flat angles C4'-P-C4' energy: -123.715 flat angles P-C4'-P energy: -101.927 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: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1882.109507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.109507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.109507 (E_RNA) where: Base-Base interactions energy: -1282.278 where: short stacking energy: -547.836 Base-Backbone interact. energy: -1.671 local terms energy: -598.161058 where: bonds (distance) C4'-P energy: -110.199 bonds (distance) P-C4' energy: -125.801 flat angles C4'-P-C4' energy: -125.086 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -150.074 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: 3, replica: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1783.483921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.483921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.483921 (E_RNA) where: Base-Base interactions energy: -1215.338 where: short stacking energy: -508.975 Base-Backbone interact. energy: -2.264 local terms energy: -565.882399 where: bonds (distance) C4'-P energy: -101.240 bonds (distance) P-C4' energy: -121.294 flat angles C4'-P-C4' energy: -114.335 flat angles P-C4'-P energy: -87.865 tors. eta vs tors. theta energy: -141.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1730.549719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.549719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.549719 (E_RNA) where: Base-Base interactions energy: -1151.315 where: short stacking energy: -504.321 Base-Backbone interact. energy: -3.429 local terms energy: -575.805067 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -99.454 flat angles C4'-P-C4' energy: -123.971 flat angles P-C4'-P energy: -90.610 tors. eta vs tors. theta energy: -139.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1592.106253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.106253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.106253 (E_RNA) where: Base-Base interactions energy: -1066.580 where: short stacking energy: -427.334 Base-Backbone interact. energy: -1.520 local terms energy: -524.006223 where: bonds (distance) C4'-P energy: -105.627 bonds (distance) P-C4' energy: -105.244 flat angles C4'-P-C4' energy: -117.263 flat angles P-C4'-P energy: -83.329 tors. eta vs tors. theta energy: -112.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1344.607216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.607216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.607216 (E_RNA) where: Base-Base interactions energy: -855.481 where: short stacking energy: -401.504 Base-Backbone interact. energy: 5.657 local terms energy: -494.782865 where: bonds (distance) C4'-P energy: -103.784 bonds (distance) P-C4' energy: -125.612 flat angles C4'-P-C4' energy: -96.958 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -98.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1127.158920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.158920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.158920 (E_RNA) where: Base-Base interactions energy: -698.629 where: short stacking energy: -329.851 Base-Backbone interact. energy: 1.784 local terms energy: -430.313734 where: bonds (distance) C4'-P energy: -90.071 bonds (distance) P-C4' energy: -115.477 flat angles C4'-P-C4' energy: -94.590 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -64.188 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: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -736.196851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.196851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.196851 (E_RNA) where: Base-Base interactions energy: -361.287 where: short stacking energy: -212.318 Base-Backbone interact. energy: -0.511 local terms energy: -374.398954 where: bonds (distance) C4'-P energy: -107.467 bonds (distance) P-C4' energy: -109.990 flat angles C4'-P-C4' energy: -92.422 flat angles P-C4'-P energy: -47.583 tors. eta vs tors. theta energy: -16.936 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: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -740.095935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.095935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.095935 (E_RNA) where: Base-Base interactions energy: -439.363 where: short stacking energy: -196.299 Base-Backbone interact. energy: -2.873 local terms energy: -297.860156 where: bonds (distance) C4'-P energy: -81.303 bonds (distance) P-C4' energy: -92.567 flat angles C4'-P-C4' energy: -83.765 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: 2.341 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: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -692.504486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.504486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.504486 (E_RNA) where: Base-Base interactions energy: -358.635 where: short stacking energy: -176.093 Base-Backbone interact. energy: -0.067 local terms energy: -333.802983 where: bonds (distance) C4'-P energy: -78.001 bonds (distance) P-C4' energy: -106.230 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -50.977 tors. eta vs tors. theta energy: -11.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1954.354110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.354110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.354110 (E_RNA) where: Base-Base interactions energy: -1352.098 where: short stacking energy: -566.150 Base-Backbone interact. energy: -4.098 local terms energy: -598.157253 where: bonds (distance) C4'-P energy: -104.884 bonds (distance) P-C4' energy: -116.002 flat angles C4'-P-C4' energy: -122.044 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -165.296 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: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1831.940258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.940258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.940258 (E_RNA) where: Base-Base interactions energy: -1263.309 where: short stacking energy: -542.918 Base-Backbone interact. energy: -3.044 local terms energy: -565.587208 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -117.768 flat angles C4'-P-C4' energy: -122.005 flat angles P-C4'-P energy: -86.851 tors. eta vs tors. theta energy: -151.251 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: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1769.070524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.070524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.070524 (E_RNA) where: Base-Base interactions energy: -1220.382 where: short stacking energy: -514.794 Base-Backbone interact. energy: 0.457 local terms energy: -549.145036 where: bonds (distance) C4'-P energy: -100.488 bonds (distance) P-C4' energy: -117.269 flat angles C4'-P-C4' energy: -114.605 flat angles P-C4'-P energy: -82.922 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: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1744.031201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.031201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.031201 (E_RNA) where: Base-Base interactions energy: -1175.253 where: short stacking energy: -524.983 Base-Backbone interact. energy: -3.322 local terms energy: -565.456797 where: bonds (distance) C4'-P energy: -108.967 bonds (distance) P-C4' energy: -106.470 flat angles C4'-P-C4' energy: -125.158 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -148.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1522.891715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.891715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.891715 (E_RNA) where: Base-Base interactions energy: -1002.634 where: short stacking energy: -471.570 Base-Backbone interact. energy: -2.371 local terms energy: -517.886859 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -113.182 flat angles C4'-P-C4' energy: -107.694 flat angles P-C4'-P energy: -67.230 tors. eta vs tors. theta energy: -131.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1322.494634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.494634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.494634 (E_RNA) where: Base-Base interactions energy: -846.669 where: short stacking energy: -367.455 Base-Backbone interact. energy: -0.324 local terms energy: -475.501496 where: bonds (distance) C4'-P energy: -107.260 bonds (distance) P-C4' energy: -110.876 flat angles C4'-P-C4' energy: -107.671 flat angles P-C4'-P energy: -70.119 tors. eta vs tors. theta energy: -79.577 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: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1098.119743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.119743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.119743 (E_RNA) where: Base-Base interactions energy: -665.262 where: short stacking energy: -332.936 Base-Backbone interact. energy: -0.408 local terms energy: -432.450310 where: bonds (distance) C4'-P energy: -112.140 bonds (distance) P-C4' energy: -105.359 flat angles C4'-P-C4' energy: -101.856 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -59.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -831.350768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.350768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.350768 (E_RNA) where: Base-Base interactions energy: -443.200 where: short stacking energy: -239.927 Base-Backbone interact. energy: -2.143 local terms energy: -386.007599 where: bonds (distance) C4'-P energy: -96.556 bonds (distance) P-C4' energy: -93.959 flat angles C4'-P-C4' energy: -89.867 flat angles P-C4'-P energy: -76.454 tors. eta vs tors. theta energy: -29.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -718.760007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.760007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.760007 (E_RNA) where: Base-Base interactions energy: -383.157 where: short stacking energy: -217.003 Base-Backbone interact. energy: -1.220 local terms energy: -334.383714 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -94.589 flat angles C4'-P-C4' energy: -76.436 flat angles P-C4'-P energy: -60.012 tors. eta vs tors. theta energy: -6.370 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: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -745.511176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.511176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.511176 (E_RNA) where: Base-Base interactions energy: -414.540 where: short stacking energy: -208.223 Base-Backbone interact. energy: -1.267 local terms energy: -329.704111 where: bonds (distance) C4'-P energy: -79.030 bonds (distance) P-C4' energy: -111.317 flat angles C4'-P-C4' energy: -77.238 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1940.879777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.879777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.879777 (E_RNA) where: Base-Base interactions energy: -1308.690 where: short stacking energy: -572.284 Base-Backbone interact. energy: -4.496 local terms energy: -627.694193 where: bonds (distance) C4'-P energy: -112.882 bonds (distance) P-C4' energy: -118.010 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -80.950 tors. eta vs tors. theta energy: -170.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1818.453844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.453844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.453844 (E_RNA) where: Base-Base interactions energy: -1220.476 where: short stacking energy: -517.616 Base-Backbone interact. energy: -1.484 local terms energy: -596.494617 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -122.581 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -83.867 tors. eta vs tors. theta energy: -149.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1793.554552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.554552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.554552 (E_RNA) where: Base-Base interactions energy: -1200.111 where: short stacking energy: -499.154 Base-Backbone interact. energy: -4.348 local terms energy: -589.094791 where: bonds (distance) C4'-P energy: -116.592 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -120.330 flat angles P-C4'-P energy: -89.824 tors. eta vs tors. theta energy: -140.165 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: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1668.102787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.102787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.102787 (E_RNA) where: Base-Base interactions energy: -1135.154 where: short stacking energy: -463.215 Base-Backbone interact. energy: -0.788 local terms energy: -532.160838 where: bonds (distance) C4'-P energy: -108.483 bonds (distance) P-C4' energy: -93.221 flat angles C4'-P-C4' energy: -113.114 flat angles P-C4'-P energy: -82.135 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: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1600.743113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.743113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.743113 (E_RNA) where: Base-Base interactions energy: -1050.420 where: short stacking energy: -469.683 Base-Backbone interact. energy: -5.699 local terms energy: -544.624536 where: bonds (distance) C4'-P energy: -111.886 bonds (distance) P-C4' energy: -106.113 flat angles C4'-P-C4' energy: -116.283 flat angles P-C4'-P energy: -79.556 tors. eta vs tors. theta energy: -130.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1295.428052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.428052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.428052 (E_RNA) where: Base-Base interactions energy: -846.080 where: short stacking energy: -373.795 Base-Backbone interact. energy: 1.599 local terms energy: -450.946831 where: bonds (distance) C4'-P energy: -88.292 bonds (distance) P-C4' energy: -105.499 flat angles C4'-P-C4' energy: -101.964 flat angles P-C4'-P energy: -65.723 tors. eta vs tors. theta energy: -89.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1122.243714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.243714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.243714 (E_RNA) where: Base-Base interactions energy: -692.892 where: short stacking energy: -309.484 Base-Backbone interact. energy: -1.248 local terms energy: -428.103742 where: bonds (distance) C4'-P energy: -109.367 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -89.196 flat angles P-C4'-P energy: -58.542 tors. eta vs tors. theta energy: -61.519 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: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -815.965244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.965244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.965244 (E_RNA) where: Base-Base interactions energy: -451.384 where: short stacking energy: -249.943 Base-Backbone interact. energy: -2.631 local terms energy: -361.950297 where: bonds (distance) C4'-P energy: -97.791 bonds (distance) P-C4' energy: -99.501 flat angles C4'-P-C4' energy: -90.369 flat angles P-C4'-P energy: -53.118 tors. eta vs tors. theta energy: -21.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -644.419424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.419424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.419424 (E_RNA) where: Base-Base interactions energy: -300.522 where: short stacking energy: -183.857 Base-Backbone interact. energy: -3.754 local terms energy: -340.143650 where: bonds (distance) C4'-P energy: -93.999 bonds (distance) P-C4' energy: -112.350 flat angles C4'-P-C4' energy: -81.888 flat angles P-C4'-P energy: -51.030 tors. eta vs tors. theta energy: -0.877 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: 10, replica: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -646.656785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.656785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.656785 (E_RNA) where: Base-Base interactions energy: -324.135 where: short stacking energy: -183.900 Base-Backbone interact. energy: -1.166 local terms energy: -321.355787 where: bonds (distance) C4'-P energy: -91.404 bonds (distance) P-C4' energy: -108.597 flat angles C4'-P-C4' energy: -85.117 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: 6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1935.211062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.211062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.211062 (E_RNA) where: Base-Base interactions energy: -1309.772 where: short stacking energy: -551.123 Base-Backbone interact. energy: -2.902 local terms energy: -622.537830 where: bonds (distance) C4'-P energy: -110.443 bonds (distance) P-C4' energy: -131.127 flat angles C4'-P-C4' energy: -127.714 flat angles P-C4'-P energy: -92.954 tors. eta vs tors. theta energy: -160.300 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: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1849.815600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.815600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.815600 (E_RNA) where: Base-Base interactions energy: -1256.763 where: short stacking energy: -523.585 Base-Backbone interact. energy: -2.737 local terms energy: -590.316196 where: bonds (distance) C4'-P energy: -113.634 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -130.264 flat angles P-C4'-P energy: -73.796 tors. eta vs tors. theta energy: -155.603 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: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1800.310295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.310295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.310295 (E_RNA) where: Base-Base interactions energy: -1214.128 where: short stacking energy: -534.105 Base-Backbone interact. energy: -3.718 local terms energy: -582.464744 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -106.803 flat angles C4'-P-C4' energy: -124.023 flat angles P-C4'-P energy: -81.576 tors. eta vs tors. theta energy: -155.463 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: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1722.447210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.447210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.447210 (E_RNA) where: Base-Base interactions energy: -1179.732 where: short stacking energy: -499.344 Base-Backbone interact. energy: 1.841 local terms energy: -544.556070 where: bonds (distance) C4'-P energy: -91.063 bonds (distance) P-C4' energy: -116.453 flat angles C4'-P-C4' energy: -112.371 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: -155.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1558.977514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.977514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.977514 (E_RNA) where: Base-Base interactions energy: -1027.009 where: short stacking energy: -437.702 Base-Backbone interact. energy: -3.115 local terms energy: -528.853435 where: bonds (distance) C4'-P energy: -104.827 bonds (distance) P-C4' energy: -115.857 flat angles C4'-P-C4' energy: -119.251 flat angles P-C4'-P energy: -72.905 tors. eta vs tors. theta energy: -116.014 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: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1325.480958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.480958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.480958 (E_RNA) where: Base-Base interactions energy: -849.179 where: short stacking energy: -374.902 Base-Backbone interact. energy: 0.203 local terms energy: -476.504654 where: bonds (distance) C4'-P energy: -109.756 bonds (distance) P-C4' energy: -111.449 flat angles C4'-P-C4' energy: -115.743 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -74.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1096.691045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.691045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.691045 (E_RNA) where: Base-Base interactions energy: -695.976 where: short stacking energy: -307.747 Base-Backbone interact. energy: 1.121 local terms energy: -401.835878 where: bonds (distance) C4'-P energy: -104.209 bonds (distance) P-C4' energy: -110.362 flat angles C4'-P-C4' energy: -104.989 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -32.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -797.262785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.262785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.262785 (E_RNA) where: Base-Base interactions energy: -427.145 where: short stacking energy: -216.087 Base-Backbone interact. energy: 6.229 local terms energy: -376.346488 where: bonds (distance) C4'-P energy: -94.155 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -93.800 flat angles P-C4'-P energy: -70.214 tors. eta vs tors. theta energy: -13.024 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: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -624.731068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.731068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.731068 (E_RNA) where: Base-Base interactions energy: -285.125 where: short stacking energy: -154.733 Base-Backbone interact. energy: -0.023 local terms energy: -339.583088 where: bonds (distance) C4'-P energy: -105.218 bonds (distance) P-C4' energy: -99.427 flat angles C4'-P-C4' energy: -91.830 flat angles P-C4'-P energy: -48.026 tors. eta vs tors. theta energy: 4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -611.581991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.581991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.581991 (E_RNA) where: Base-Base interactions energy: -287.264 where: short stacking energy: -147.065 Base-Backbone interact. energy: -0.889 local terms energy: -323.429583 where: bonds (distance) C4'-P energy: -97.988 bonds (distance) P-C4' energy: -120.593 flat angles C4'-P-C4' energy: -76.521 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: 21.007 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: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1956.831681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.831681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.831681 (E_RNA) where: Base-Base interactions energy: -1354.932 where: short stacking energy: -584.417 Base-Backbone interact. energy: -2.675 local terms energy: -599.224182 where: bonds (distance) C4'-P energy: -104.186 bonds (distance) P-C4' energy: -118.955 flat angles C4'-P-C4' energy: -132.258 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -164.738 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: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1893.995811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.995811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.995811 (E_RNA) where: Base-Base interactions energy: -1291.508 where: short stacking energy: -515.709 Base-Backbone interact. energy: -3.788 local terms energy: -598.699902 where: bonds (distance) C4'-P energy: -117.924 bonds (distance) P-C4' energy: -113.521 flat angles C4'-P-C4' energy: -139.748 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -152.827 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: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1744.576239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.576239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.576239 (E_RNA) where: Base-Base interactions energy: -1163.474 where: short stacking energy: -487.322 Base-Backbone interact. energy: -3.476 local terms energy: -577.626728 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -121.134 flat angles C4'-P-C4' energy: -129.330 flat angles P-C4'-P energy: -85.426 tors. eta vs tors. theta energy: -120.107 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: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1715.066686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.066686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.066686 (E_RNA) where: Base-Base interactions energy: -1126.481 where: short stacking energy: -489.162 Base-Backbone interact. energy: -0.187 local terms energy: -588.398899 where: bonds (distance) C4'-P energy: -110.636 bonds (distance) P-C4' energy: -113.596 flat angles C4'-P-C4' energy: -134.774 flat angles P-C4'-P energy: -91.657 tors. eta vs tors. theta energy: -137.735 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: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1551.854804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.854804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.854804 (E_RNA) where: Base-Base interactions energy: -1026.940 where: short stacking energy: -440.420 Base-Backbone interact. energy: 1.616 local terms energy: -526.530719 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -116.332 flat angles C4'-P-C4' energy: -122.624 flat angles P-C4'-P energy: -65.195 tors. eta vs tors. theta energy: -124.298 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: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1329.994652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.994652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.994652 (E_RNA) where: Base-Base interactions energy: -858.312 where: short stacking energy: -349.547 Base-Backbone interact. energy: -2.717 local terms energy: -468.965237 where: bonds (distance) C4'-P energy: -98.431 bonds (distance) P-C4' energy: -99.685 flat angles C4'-P-C4' energy: -119.635 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -80.333 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: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1072.448633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.448633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.448633 (E_RNA) where: Base-Base interactions energy: -660.008 where: short stacking energy: -293.756 Base-Backbone interact. energy: 1.179 local terms energy: -413.619749 where: bonds (distance) C4'-P energy: -102.408 bonds (distance) P-C4' energy: -103.677 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -41.775 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: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -751.750931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.750931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.750931 (E_RNA) where: Base-Base interactions energy: -423.483 where: short stacking energy: -231.330 Base-Backbone interact. energy: -0.876 local terms energy: -327.392051 where: bonds (distance) C4'-P energy: -92.244 bonds (distance) P-C4' energy: -98.173 flat angles C4'-P-C4' energy: -78.002 flat angles P-C4'-P energy: -56.128 tors. eta vs tors. theta energy: -2.845 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: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -644.130248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.130248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.130248 (E_RNA) where: Base-Base interactions energy: -294.719 where: short stacking energy: -178.684 Base-Backbone interact. energy: -1.633 local terms energy: -347.778427 where: bonds (distance) C4'-P energy: -86.656 bonds (distance) P-C4' energy: -101.906 flat angles C4'-P-C4' energy: -93.562 flat angles P-C4'-P energy: -67.321 tors. eta vs tors. theta energy: 1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -612.232525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.232525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.232525 (E_RNA) where: Base-Base interactions energy: -316.449 where: short stacking energy: -169.330 Base-Backbone interact. energy: 1.664 local terms energy: -297.447939 where: bonds (distance) C4'-P energy: -80.479 bonds (distance) P-C4' energy: -91.767 flat angles C4'-P-C4' energy: -90.457 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: 19.147 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: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1970.847446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.847446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.847446 (E_RNA) where: Base-Base interactions energy: -1363.464 where: short stacking energy: -584.866 Base-Backbone interact. energy: -2.981 local terms energy: -604.401741 where: bonds (distance) C4'-P energy: -115.090 bonds (distance) P-C4' energy: -116.098 flat angles C4'-P-C4' energy: -121.527 flat angles P-C4'-P energy: -92.882 tors. eta vs tors. theta energy: -158.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1896.799050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.799050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.799050 (E_RNA) where: Base-Base interactions energy: -1292.707 where: short stacking energy: -551.431 Base-Backbone interact. energy: -2.818 local terms energy: -601.274227 where: bonds (distance) C4'-P energy: -107.856 bonds (distance) P-C4' energy: -118.786 flat angles C4'-P-C4' energy: -139.406 flat angles P-C4'-P energy: -76.580 tors. eta vs tors. theta energy: -158.646 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: 68 Temperature: 1.000000 Total energy: -1761.317562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.317562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.317562 (E_RNA) where: Base-Base interactions energy: -1178.502 where: short stacking energy: -499.314 Base-Backbone interact. energy: -0.403 local terms energy: -582.412293 where: bonds (distance) C4'-P energy: -103.760 bonds (distance) P-C4' energy: -116.683 flat angles C4'-P-C4' energy: -130.428 flat angles P-C4'-P energy: -86.390 tors. eta vs tors. theta energy: -145.152 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: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1710.951395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.951395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.951395 (E_RNA) where: Base-Base interactions energy: -1148.606 where: short stacking energy: -513.298 Base-Backbone interact. energy: 2.146 local terms energy: -564.491015 where: bonds (distance) C4'-P energy: -106.443 bonds (distance) P-C4' energy: -112.906 flat angles C4'-P-C4' energy: -122.132 flat angles P-C4'-P energy: -78.138 tors. eta vs tors. theta energy: -144.872 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1560.088759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.088759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.088759 (E_RNA) where: Base-Base interactions energy: -1022.787 where: short stacking energy: -455.478 Base-Backbone interact. energy: 3.337 local terms energy: -540.638624 where: bonds (distance) C4'-P energy: -114.918 bonds (distance) P-C4' energy: -106.493 flat angles C4'-P-C4' energy: -129.582 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -129.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1329.263209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.263209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.263209 (E_RNA) where: Base-Base interactions energy: -856.391 where: short stacking energy: -386.099 Base-Backbone interact. energy: -1.436 local terms energy: -471.435815 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -104.829 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -89.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1055.556541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.556541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.556541 (E_RNA) where: Base-Base interactions energy: -639.647 where: short stacking energy: -283.895 Base-Backbone interact. energy: -1.478 local terms energy: -414.431263 where: bonds (distance) C4'-P energy: -99.115 bonds (distance) P-C4' energy: -110.556 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -43.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -838.453329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.453329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.453329 (E_RNA) where: Base-Base interactions energy: -480.728 where: short stacking energy: -259.339 Base-Backbone interact. energy: 0.214 local terms energy: -357.938977 where: bonds (distance) C4'-P energy: -105.315 bonds (distance) P-C4' energy: -98.990 flat angles C4'-P-C4' energy: -85.483 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -23.473 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: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -643.881767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.881767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.881767 (E_RNA) where: Base-Base interactions energy: -354.800 where: short stacking energy: -218.282 Base-Backbone interact. energy: 11.521 local terms energy: -300.603033 where: bonds (distance) C4'-P energy: -93.617 bonds (distance) P-C4' energy: -83.711 flat angles C4'-P-C4' energy: -81.239 flat angles P-C4'-P energy: -49.230 tors. eta vs tors. theta energy: 7.193 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: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -601.515021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.515021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.515021 (E_RNA) where: Base-Base interactions energy: -295.232 where: short stacking energy: -178.821 Base-Backbone interact. energy: 2.870 local terms energy: -309.153188 where: bonds (distance) C4'-P energy: -75.237 bonds (distance) P-C4' energy: -106.677 flat angles C4'-P-C4' energy: -73.699 flat angles P-C4'-P energy: -54.579 tors. eta vs tors. theta energy: 1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1977.225172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.225172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.225172 (E_RNA) where: Base-Base interactions energy: -1358.429 where: short stacking energy: -593.281 Base-Backbone interact. energy: -0.936 local terms energy: -617.859982 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -105.167 flat angles C4'-P-C4' energy: -134.863 flat angles P-C4'-P energy: -89.775 tors. eta vs tors. theta energy: -168.784 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: 2, replica: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1893.093501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.093501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.093501 (E_RNA) where: Base-Base interactions energy: -1282.269 where: short stacking energy: -550.212 Base-Backbone interact. energy: 0.151 local terms energy: -610.975463 where: bonds (distance) C4'-P energy: -119.456 bonds (distance) P-C4' energy: -128.080 flat angles C4'-P-C4' energy: -135.869 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -157.524 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: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1773.513778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.513778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.513778 (E_RNA) where: Base-Base interactions energy: -1213.653 where: short stacking energy: -528.292 Base-Backbone interact. energy: -1.170 local terms energy: -558.690921 where: bonds (distance) C4'-P energy: -112.936 bonds (distance) P-C4' energy: -115.635 flat angles C4'-P-C4' energy: -117.921 flat angles P-C4'-P energy: -68.200 tors. eta vs tors. theta energy: -143.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1713.702307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.702307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.702307 (E_RNA) where: Base-Base interactions energy: -1146.986 where: short stacking energy: -482.912 Base-Backbone interact. energy: -2.061 local terms energy: -564.654491 where: bonds (distance) C4'-P energy: -109.876 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -120.824 flat angles P-C4'-P energy: -87.654 tors. eta vs tors. theta energy: -132.224 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: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1558.403869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.403869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.403869 (E_RNA) where: Base-Base interactions energy: -1031.116 where: short stacking energy: -443.220 Base-Backbone interact. energy: -0.945 local terms energy: -526.342838 where: bonds (distance) C4'-P energy: -106.207 bonds (distance) P-C4' energy: -107.752 flat angles C4'-P-C4' energy: -122.471 flat angles P-C4'-P energy: -69.837 tors. eta vs tors. theta energy: -120.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1323.337689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.337689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.337689 (E_RNA) where: Base-Base interactions energy: -855.717 where: short stacking energy: -411.994 Base-Backbone interact. energy: 1.253 local terms energy: -468.874113 where: bonds (distance) C4'-P energy: -94.052 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -113.664 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: -106.035 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: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1097.712570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.712570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.712570 (E_RNA) where: Base-Base interactions energy: -655.232 where: short stacking energy: -302.375 Base-Backbone interact. energy: -3.669 local terms energy: -438.811813 where: bonds (distance) C4'-P energy: -112.373 bonds (distance) P-C4' energy: -100.839 flat angles C4'-P-C4' energy: -102.867 flat angles P-C4'-P energy: -75.582 tors. eta vs tors. theta energy: -47.151 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: 69 Temperature: 1.250000 Total energy: -790.966280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.966280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.966280 (E_RNA) where: Base-Base interactions energy: -425.156 where: short stacking energy: -214.386 Base-Backbone interact. energy: -0.415 local terms energy: -365.394510 where: bonds (distance) C4'-P energy: -116.102 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -95.207 flat angles P-C4'-P energy: -54.828 tors. eta vs tors. theta energy: 4.413 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: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -616.410079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.410079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.410079 (E_RNA) where: Base-Base interactions energy: -280.757 where: short stacking energy: -181.425 Base-Backbone interact. energy: 0.999 local terms energy: -336.652251 where: bonds (distance) C4'-P energy: -93.764 bonds (distance) P-C4' energy: -95.788 flat angles C4'-P-C4' energy: -74.241 flat angles P-C4'-P energy: -70.963 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -601.155634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.155634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.155634 (E_RNA) where: Base-Base interactions energy: -276.432 where: short stacking energy: -155.983 Base-Backbone interact. energy: -0.353 local terms energy: -324.370636 where: bonds (distance) C4'-P energy: -101.929 bonds (distance) P-C4' energy: -84.904 flat angles C4'-P-C4' energy: -81.746 flat angles P-C4'-P energy: -56.947 tors. eta vs tors. theta energy: 1.154 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: 2 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1977.662187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.662187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.662187 (E_RNA) where: Base-Base interactions energy: -1347.305 where: short stacking energy: -577.879 Base-Backbone interact. energy: -4.701 local terms energy: -625.655513 where: bonds (distance) C4'-P energy: -118.679 bonds (distance) P-C4' energy: -110.798 flat angles C4'-P-C4' energy: -132.071 flat angles P-C4'-P energy: -90.903 tors. eta vs tors. theta energy: -173.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1876.885037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.885037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.885037 (E_RNA) where: Base-Base interactions energy: -1288.862 where: short stacking energy: -517.630 Base-Backbone interact. energy: -5.602 local terms energy: -582.421180 where: bonds (distance) C4'-P energy: -106.517 bonds (distance) P-C4' energy: -113.818 flat angles C4'-P-C4' energy: -117.428 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: -164.711 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: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1774.797428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.797428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.797428 (E_RNA) where: Base-Base interactions energy: -1194.970 where: short stacking energy: -509.757 Base-Backbone interact. energy: -1.158 local terms energy: -578.670148 where: bonds (distance) C4'-P energy: -109.113 bonds (distance) P-C4' energy: -121.950 flat angles C4'-P-C4' energy: -129.208 flat angles P-C4'-P energy: -76.174 tors. eta vs tors. theta energy: -142.225 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: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1722.807827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.807827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.807827 (E_RNA) where: Base-Base interactions energy: -1153.991 where: short stacking energy: -468.696 Base-Backbone interact. energy: -1.874 local terms energy: -566.941997 where: bonds (distance) C4'-P energy: -109.701 bonds (distance) P-C4' energy: -108.348 flat angles C4'-P-C4' energy: -118.433 flat angles P-C4'-P energy: -95.623 tors. eta vs tors. theta energy: -134.837 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: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1568.012542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.012542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.012542 (E_RNA) where: Base-Base interactions energy: -1025.401 where: short stacking energy: -411.743 Base-Backbone interact. energy: -0.750 local terms energy: -541.861473 where: bonds (distance) C4'-P energy: -113.889 bonds (distance) P-C4' energy: -98.562 flat angles C4'-P-C4' energy: -120.627 flat angles P-C4'-P energy: -85.251 tors. eta vs tors. theta energy: -123.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1359.468363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.468363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.468363 (E_RNA) where: Base-Base interactions energy: -854.285 where: short stacking energy: -415.833 Base-Backbone interact. energy: -2.231 local terms energy: -502.952737 where: bonds (distance) C4'-P energy: -96.006 bonds (distance) P-C4' energy: -114.393 flat angles C4'-P-C4' energy: -115.887 flat angles P-C4'-P energy: -75.227 tors. eta vs tors. theta energy: -101.440 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: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1097.003698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.003698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.003698 (E_RNA) where: Base-Base interactions energy: -679.205 where: short stacking energy: -289.817 Base-Backbone interact. energy: -3.366 local terms energy: -414.432502 where: bonds (distance) C4'-P energy: -93.526 bonds (distance) P-C4' energy: -103.350 flat angles C4'-P-C4' energy: -110.416 flat angles P-C4'-P energy: -66.351 tors. eta vs tors. theta energy: -40.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -882.681791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.681791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.681791 (E_RNA) where: Base-Base interactions energy: -494.855 where: short stacking energy: -211.623 Base-Backbone interact. energy: 1.095 local terms energy: -388.921434 where: bonds (distance) C4'-P energy: -123.349 bonds (distance) P-C4' energy: -103.519 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -57.470 tors. eta vs tors. theta energy: -10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -622.104096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.104096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.104096 (E_RNA) where: Base-Base interactions energy: -313.518 where: short stacking energy: -182.662 Base-Backbone interact. energy: 1.251 local terms energy: -309.836997 where: bonds (distance) C4'-P energy: -76.987 bonds (distance) P-C4' energy: -93.382 flat angles C4'-P-C4' energy: -92.196 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -5.167 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: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -593.640697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.640697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.640697 (E_RNA) where: Base-Base interactions energy: -270.060 where: short stacking energy: -164.797 Base-Backbone interact. energy: 1.305 local terms energy: -324.885882 where: bonds (distance) C4'-P energy: -103.505 bonds (distance) P-C4' energy: -92.896 flat angles C4'-P-C4' energy: -91.031 flat angles P-C4'-P energy: -44.410 tors. eta vs tors. theta energy: 6.956 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: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1949.812558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.812558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.812558 (E_RNA) where: Base-Base interactions energy: -1320.257 where: short stacking energy: -552.449 Base-Backbone interact. energy: -5.383 local terms energy: -624.172712 where: bonds (distance) C4'-P energy: -134.028 bonds (distance) P-C4' energy: -114.903 flat angles C4'-P-C4' energy: -138.569 flat angles P-C4'-P energy: -72.727 tors. eta vs tors. theta energy: -163.945 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: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1848.657138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.657138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.657138 (E_RNA) where: Base-Base interactions energy: -1256.004 where: short stacking energy: -538.211 Base-Backbone interact. energy: -1.868 local terms energy: -590.785195 where: bonds (distance) C4'-P energy: -104.157 bonds (distance) P-C4' energy: -123.354 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -79.014 tors. eta vs tors. theta energy: -144.270 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: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1761.356855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.356855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.356855 (E_RNA) where: Base-Base interactions energy: -1213.862 where: short stacking energy: -496.205 Base-Backbone interact. energy: 2.260 local terms energy: -549.754896 where: bonds (distance) C4'-P energy: -98.734 bonds (distance) P-C4' energy: -109.346 flat angles C4'-P-C4' energy: -119.933 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -140.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1726.992598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.992598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.992598 (E_RNA) where: Base-Base interactions energy: -1152.889 where: short stacking energy: -509.335 Base-Backbone interact. energy: 3.273 local terms energy: -577.376271 where: bonds (distance) C4'-P energy: -112.337 bonds (distance) P-C4' energy: -110.412 flat angles C4'-P-C4' energy: -130.808 flat angles P-C4'-P energy: -81.119 tors. eta vs tors. theta energy: -142.700 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: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1584.303740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.303740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.303740 (E_RNA) where: Base-Base interactions energy: -1014.061 where: short stacking energy: -439.821 Base-Backbone interact. energy: 1.290 local terms energy: -571.532416 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -111.581 flat angles C4'-P-C4' energy: -130.807 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -132.891 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: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1353.974107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.974107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.974107 (E_RNA) where: Base-Base interactions energy: -875.537 where: short stacking energy: -401.048 Base-Backbone interact. energy: -1.604 local terms energy: -476.833115 where: bonds (distance) C4'-P energy: -101.422 bonds (distance) P-C4' energy: -116.391 flat angles C4'-P-C4' energy: -107.007 flat angles P-C4'-P energy: -62.408 tors. eta vs tors. theta energy: -89.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1067.509581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.509581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.509581 (E_RNA) where: Base-Base interactions energy: -665.399 where: short stacking energy: -293.988 Base-Backbone interact. energy: -1.829 local terms energy: -400.281990 where: bonds (distance) C4'-P energy: -98.725 bonds (distance) P-C4' energy: -105.804 flat angles C4'-P-C4' energy: -98.712 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -47.458 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: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -880.581225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.581225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.581225 (E_RNA) where: Base-Base interactions energy: -483.712 where: short stacking energy: -259.470 Base-Backbone interact. energy: 2.981 local terms energy: -399.851194 where: bonds (distance) C4'-P energy: -100.127 bonds (distance) P-C4' energy: -94.754 flat angles C4'-P-C4' energy: -100.965 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -33.804 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: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -656.834772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.834772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.834772 (E_RNA) where: Base-Base interactions energy: -313.608 where: short stacking energy: -173.338 Base-Backbone interact. energy: 0.880 local terms energy: -344.106879 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -112.766 flat angles C4'-P-C4' energy: -81.216 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -579.678010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.678010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.678010 (E_RNA) where: Base-Base interactions energy: -258.641 where: short stacking energy: -152.521 Base-Backbone interact. energy: 1.892 local terms energy: -322.929010 where: bonds (distance) C4'-P energy: -73.974 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1999.128070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.128070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.128070 (E_RNA) where: Base-Base interactions energy: -1345.868 where: short stacking energy: -594.890 Base-Backbone interact. energy: -1.619 local terms energy: -651.641416 where: bonds (distance) C4'-P energy: -125.082 bonds (distance) P-C4' energy: -127.262 flat angles C4'-P-C4' energy: -138.037 flat angles P-C4'-P energy: -89.965 tors. eta vs tors. theta energy: -171.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1881.826862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.826862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.826862 (E_RNA) where: Base-Base interactions energy: -1311.231 where: short stacking energy: -540.623 Base-Backbone interact. energy: -2.285 local terms energy: -568.310161 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -107.821 flat angles C4'-P-C4' energy: -131.065 flat angles P-C4'-P energy: -78.663 tors. eta vs tors. theta energy: -141.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1806.634682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.634682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.634682 (E_RNA) where: Base-Base interactions energy: -1248.199 where: short stacking energy: -502.529 Base-Backbone interact. energy: -5.604 local terms energy: -552.831369 where: bonds (distance) C4'-P energy: -111.936 bonds (distance) P-C4' energy: -109.621 flat angles C4'-P-C4' energy: -131.874 flat angles P-C4'-P energy: -68.011 tors. eta vs tors. theta energy: -131.388 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: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1702.362714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.362714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.362714 (E_RNA) where: Base-Base interactions energy: -1157.307 where: short stacking energy: -494.599 Base-Backbone interact. energy: -2.310 local terms energy: -542.745133 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -104.118 flat angles C4'-P-C4' energy: -117.793 flat angles P-C4'-P energy: -79.018 tors. eta vs tors. theta energy: -143.168 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: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1615.314838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.314838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.314838 (E_RNA) where: Base-Base interactions energy: -1097.276 where: short stacking energy: -453.258 Base-Backbone interact. energy: -2.721 local terms energy: -515.317487 where: bonds (distance) C4'-P energy: -96.529 bonds (distance) P-C4' energy: -107.407 flat angles C4'-P-C4' energy: -114.433 flat angles P-C4'-P energy: -75.049 tors. eta vs tors. theta energy: -121.900 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: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1402.572169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.572169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.572169 (E_RNA) where: Base-Base interactions energy: -928.365 where: short stacking energy: -411.579 Base-Backbone interact. energy: 2.016 local terms energy: -476.222914 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -99.572 flat angles C4'-P-C4' energy: -120.093 flat angles P-C4'-P energy: -55.977 tors. eta vs tors. theta energy: -90.754 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: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1065.541044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.541044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.541044 (E_RNA) where: Base-Base interactions energy: -660.586 where: short stacking energy: -287.564 Base-Backbone interact. energy: -5.103 local terms energy: -399.851172 where: bonds (distance) C4'-P energy: -91.032 bonds (distance) P-C4' energy: -96.946 flat angles C4'-P-C4' energy: -96.297 flat angles P-C4'-P energy: -73.952 tors. eta vs tors. theta energy: -41.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -923.186817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.186817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.186817 (E_RNA) where: Base-Base interactions energy: -542.360 where: short stacking energy: -244.744 Base-Backbone interact. energy: -2.351 local terms energy: -378.476375 where: bonds (distance) C4'-P energy: -94.264 bonds (distance) P-C4' energy: -97.526 flat angles C4'-P-C4' energy: -100.289 flat angles P-C4'-P energy: -47.922 tors. eta vs tors. theta energy: -38.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -689.947898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.947898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.947898 (E_RNA) where: Base-Base interactions energy: -334.943 where: short stacking energy: -206.685 Base-Backbone interact. energy: 0.032 local terms energy: -355.036870 where: bonds (distance) C4'-P energy: -98.302 bonds (distance) P-C4' energy: -101.095 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -54.443 tors. eta vs tors. theta energy: -12.744 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: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -575.256208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.256208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.256208 (E_RNA) where: Base-Base interactions energy: -287.178 where: short stacking energy: -167.556 Base-Backbone interact. energy: -1.190 local terms energy: -286.887657 where: bonds (distance) C4'-P energy: -75.718 bonds (distance) P-C4' energy: -89.890 flat angles C4'-P-C4' energy: -72.631 flat angles P-C4'-P energy: -60.119 tors. eta vs tors. theta energy: 11.471 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: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1993.824516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.824516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.824516 (E_RNA) where: Base-Base interactions energy: -1368.801 where: short stacking energy: -574.525 Base-Backbone interact. energy: -4.595 local terms energy: -620.428782 where: bonds (distance) C4'-P energy: -114.287 bonds (distance) P-C4' energy: -118.153 flat angles C4'-P-C4' energy: -135.218 flat angles P-C4'-P energy: -87.702 tors. eta vs tors. theta energy: -165.069 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: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1869.222179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.222179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.222179 (E_RNA) where: Base-Base interactions energy: -1281.851 where: short stacking energy: -536.228 Base-Backbone interact. energy: -5.107 local terms energy: -582.263884 where: bonds (distance) C4'-P energy: -125.869 bonds (distance) P-C4' energy: -116.406 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -73.873 tors. eta vs tors. theta energy: -147.505 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: 73 Temperature: 1.000000 Total energy: -1811.987845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.987845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.987845 (E_RNA) where: Base-Base interactions energy: -1242.880 where: short stacking energy: -518.843 Base-Backbone interact. energy: -4.041 local terms energy: -565.066316 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -112.760 flat angles C4'-P-C4' energy: -130.745 flat angles P-C4'-P energy: -84.117 tors. eta vs tors. theta energy: -145.533 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: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1700.647462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.647462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.647462 (E_RNA) where: Base-Base interactions energy: -1150.965 where: short stacking energy: -504.274 Base-Backbone interact. energy: 1.753 local terms energy: -551.435054 where: bonds (distance) C4'-P energy: -101.961 bonds (distance) P-C4' energy: -114.060 flat angles C4'-P-C4' energy: -110.013 flat angles P-C4'-P energy: -80.966 tors. eta vs tors. theta energy: -144.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1666.261630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.261630 (E_RNA) where: Base-Base interactions energy: -1132.866 where: short stacking energy: -495.585 Base-Backbone interact. energy: 1.059 local terms energy: -534.454168 where: bonds (distance) C4'-P energy: -98.984 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -112.918 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -141.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1353.738117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.738117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.738117 (E_RNA) where: Base-Base interactions energy: -884.854 where: short stacking energy: -391.853 Base-Backbone interact. energy: -0.417 local terms energy: -468.467278 where: bonds (distance) C4'-P energy: -90.544 bonds (distance) P-C4' energy: -113.827 flat angles C4'-P-C4' energy: -105.590 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -83.864 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: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1094.206708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.206708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.206708 (E_RNA) where: Base-Base interactions energy: -706.983 where: short stacking energy: -306.892 Base-Backbone interact. energy: -4.007 local terms energy: -383.216369 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -88.262 flat angles C4'-P-C4' energy: -93.649 flat angles P-C4'-P energy: -52.352 tors. eta vs tors. theta energy: -52.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -890.871177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.871177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.871177 (E_RNA) where: Base-Base interactions energy: -530.520 where: short stacking energy: -266.168 Base-Backbone interact. energy: -2.085 local terms energy: -358.266449 where: bonds (distance) C4'-P energy: -81.937 bonds (distance) P-C4' energy: -97.765 flat angles C4'-P-C4' energy: -87.334 flat angles P-C4'-P energy: -54.999 tors. eta vs tors. theta energy: -36.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -754.622419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.622419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.622419 (E_RNA) where: Base-Base interactions energy: -386.673 where: short stacking energy: -208.826 Base-Backbone interact. energy: 3.831 local terms energy: -371.780269 where: bonds (distance) C4'-P energy: -98.529 bonds (distance) P-C4' energy: -101.453 flat angles C4'-P-C4' energy: -84.928 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -578.267859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.267859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.267859 (E_RNA) where: Base-Base interactions energy: -264.145 where: short stacking energy: -154.729 Base-Backbone interact. energy: 6.316 local terms energy: -320.438585 where: bonds (distance) C4'-P energy: -94.157 bonds (distance) P-C4' energy: -95.586 flat angles C4'-P-C4' energy: -81.585 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: 5.296 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: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1999.322495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.322495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.322495 (E_RNA) where: Base-Base interactions energy: -1374.400 where: short stacking energy: -602.582 Base-Backbone interact. energy: -4.602 local terms energy: -620.320347 where: bonds (distance) C4'-P energy: -123.535 bonds (distance) P-C4' energy: -108.151 flat angles C4'-P-C4' energy: -129.677 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -173.775 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: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1857.469608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.469608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.469608 (E_RNA) where: Base-Base interactions energy: -1260.669 where: short stacking energy: -522.888 Base-Backbone interact. energy: -2.395 local terms energy: -594.405503 where: bonds (distance) C4'-P energy: -119.173 bonds (distance) P-C4' energy: -120.167 flat angles C4'-P-C4' energy: -126.359 flat angles P-C4'-P energy: -76.975 tors. eta vs tors. theta energy: -151.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1799.732010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.732010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.732010 (E_RNA) where: Base-Base interactions energy: -1217.307 where: short stacking energy: -523.195 Base-Backbone interact. energy: -4.288 local terms energy: -578.136566 where: bonds (distance) C4'-P energy: -103.185 bonds (distance) P-C4' energy: -114.010 flat angles C4'-P-C4' energy: -134.375 flat angles P-C4'-P energy: -76.926 tors. eta vs tors. theta energy: -149.642 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: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1728.605274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.605274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.605274 (E_RNA) where: Base-Base interactions energy: -1152.353 where: short stacking energy: -508.881 Base-Backbone interact. energy: -1.529 local terms energy: -574.723262 where: bonds (distance) C4'-P energy: -110.485 bonds (distance) P-C4' energy: -104.764 flat angles C4'-P-C4' energy: -120.299 flat angles P-C4'-P energy: -89.518 tors. eta vs tors. theta energy: -149.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1594.445125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.445125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.445125 (E_RNA) where: Base-Base interactions energy: -1070.222 where: short stacking energy: -459.199 Base-Backbone interact. energy: 0.597 local terms energy: -524.820390 where: bonds (distance) C4'-P energy: -96.266 bonds (distance) P-C4' energy: -114.074 flat angles C4'-P-C4' energy: -120.083 flat angles P-C4'-P energy: -61.769 tors. eta vs tors. theta energy: -132.628 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: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1339.789371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.789371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.789371 (E_RNA) where: Base-Base interactions energy: -849.502 where: short stacking energy: -379.618 Base-Backbone interact. energy: -2.162 local terms energy: -488.124632 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -111.737 flat angles C4'-P-C4' energy: -121.852 flat angles P-C4'-P energy: -67.798 tors. eta vs tors. theta energy: -86.690 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: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1061.550641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.550641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.550641 (E_RNA) where: Base-Base interactions energy: -648.675 where: short stacking energy: -310.166 Base-Backbone interact. energy: -2.532 local terms energy: -410.343373 where: bonds (distance) C4'-P energy: -104.694 bonds (distance) P-C4' energy: -98.165 flat angles C4'-P-C4' energy: -94.984 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -54.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -894.106768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.106768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.106768 (E_RNA) where: Base-Base interactions energy: -476.066 where: short stacking energy: -253.448 Base-Backbone interact. energy: -2.423 local terms energy: -415.618241 where: bonds (distance) C4'-P energy: -93.332 bonds (distance) P-C4' energy: -109.562 flat angles C4'-P-C4' energy: -99.750 flat angles P-C4'-P energy: -71.618 tors. eta vs tors. theta energy: -41.357 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: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -788.992789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.992789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.992789 (E_RNA) where: Base-Base interactions energy: -418.842 where: short stacking energy: -224.746 Base-Backbone interact. energy: -2.680 local terms energy: -367.471435 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -94.614 flat angles C4'-P-C4' energy: -101.869 flat angles P-C4'-P energy: -74.476 tors. eta vs tors. theta energy: -18.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -531.553572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.553572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.553572 (E_RNA) where: Base-Base interactions energy: -265.473 where: short stacking energy: -173.253 Base-Backbone interact. energy: 1.252 local terms energy: -267.331800 where: bonds (distance) C4'-P energy: -78.119 bonds (distance) P-C4' energy: -96.382 flat angles C4'-P-C4' energy: -72.600 flat angles P-C4'-P energy: -30.424 tors. eta vs tors. theta energy: 10.193 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: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1983.674437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.674437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.674437 (E_RNA) where: Base-Base interactions energy: -1339.491 where: short stacking energy: -564.957 Base-Backbone interact. energy: -4.024 local terms energy: -640.159960 where: bonds (distance) C4'-P energy: -122.872 bonds (distance) P-C4' energy: -130.750 flat angles C4'-P-C4' energy: -133.152 flat angles P-C4'-P energy: -89.473 tors. eta vs tors. theta energy: -163.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1882.273460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.273460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.273460 (E_RNA) where: Base-Base interactions energy: -1280.613 where: short stacking energy: -553.711 Base-Backbone interact. energy: -3.224 local terms energy: -598.436997 where: bonds (distance) C4'-P energy: -105.617 bonds (distance) P-C4' energy: -116.603 flat angles C4'-P-C4' energy: -136.326 flat angles P-C4'-P energy: -81.653 tors. eta vs tors. theta energy: -158.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1822.803987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.803987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.803987 (E_RNA) where: Base-Base interactions energy: -1234.056 where: short stacking energy: -520.605 Base-Backbone interact. energy: -2.359 local terms energy: -586.388840 where: bonds (distance) C4'-P energy: -121.992 bonds (distance) P-C4' energy: -117.073 flat angles C4'-P-C4' energy: -127.068 flat angles P-C4'-P energy: -81.672 tors. eta vs tors. theta energy: -138.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1719.152472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.152472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.152472 (E_RNA) where: Base-Base interactions energy: -1180.579 where: short stacking energy: -496.138 Base-Backbone interact. energy: -3.842 local terms energy: -534.731380 where: bonds (distance) C4'-P energy: -97.960 bonds (distance) P-C4' energy: -115.522 flat angles C4'-P-C4' energy: -121.251 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -134.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1599.230751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.230751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.230751 (E_RNA) where: Base-Base interactions energy: -1078.074 where: short stacking energy: -442.138 Base-Backbone interact. energy: -2.953 local terms energy: -518.203618 where: bonds (distance) C4'-P energy: -106.808 bonds (distance) P-C4' energy: -91.223 flat angles C4'-P-C4' energy: -125.692 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -117.371 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: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1319.301341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.301341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.301341 (E_RNA) where: Base-Base interactions energy: -874.934 where: short stacking energy: -385.770 Base-Backbone interact. energy: 1.115 local terms energy: -445.481895 where: bonds (distance) C4'-P energy: -88.978 bonds (distance) P-C4' energy: -115.182 flat angles C4'-P-C4' energy: -92.157 flat angles P-C4'-P energy: -71.000 tors. eta vs tors. theta energy: -78.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1135.061869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.061869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.061869 (E_RNA) where: Base-Base interactions energy: -708.503 where: short stacking energy: -308.941 Base-Backbone interact. energy: -3.837 local terms energy: -422.721704 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -105.259 flat angles C4'-P-C4' energy: -119.323 flat angles P-C4'-P energy: -48.825 tors. eta vs tors. theta energy: -63.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -877.966439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.966439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.966439 (E_RNA) where: Base-Base interactions energy: -496.916 where: short stacking energy: -242.955 Base-Backbone interact. energy: -1.310 local terms energy: -379.740068 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -103.135 flat angles C4'-P-C4' energy: -88.405 flat angles P-C4'-P energy: -50.923 tors. eta vs tors. theta energy: -31.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -813.515331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.515331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.515331 (E_RNA) where: Base-Base interactions energy: -467.751 where: short stacking energy: -221.373 Base-Backbone interact. energy: -3.188 local terms energy: -342.576315 where: bonds (distance) C4'-P energy: -72.647 bonds (distance) P-C4' energy: -111.097 flat angles C4'-P-C4' energy: -79.087 flat angles P-C4'-P energy: -60.087 tors. eta vs tors. theta energy: -19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -574.407367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.407367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.407367 (E_RNA) where: Base-Base interactions energy: -266.249 where: short stacking energy: -164.418 Base-Backbone interact. energy: 5.204 local terms energy: -313.361970 where: bonds (distance) C4'-P energy: -100.916 bonds (distance) P-C4' energy: -85.098 flat angles C4'-P-C4' energy: -79.246 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: 20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1981.241440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.241440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.241440 (E_RNA) where: Base-Base interactions energy: -1365.964 where: short stacking energy: -585.217 Base-Backbone interact. energy: 2.079 local terms energy: -617.355649 where: bonds (distance) C4'-P energy: -118.625 bonds (distance) P-C4' energy: -118.224 flat angles C4'-P-C4' energy: -129.595 flat angles P-C4'-P energy: -95.201 tors. eta vs tors. theta energy: -155.711 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: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1888.635603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.635603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.635603 (E_RNA) where: Base-Base interactions energy: -1296.660 where: short stacking energy: -546.417 Base-Backbone interact. energy: -4.917 local terms energy: -587.058879 where: bonds (distance) C4'-P energy: -113.655 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -123.970 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -164.782 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: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1815.993146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.993146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.993146 (E_RNA) where: Base-Base interactions energy: -1255.206 where: short stacking energy: -547.368 Base-Backbone interact. energy: 1.412 local terms energy: -562.199582 where: bonds (distance) C4'-P energy: -96.270 bonds (distance) P-C4' energy: -114.425 flat angles C4'-P-C4' energy: -126.273 flat angles P-C4'-P energy: -82.464 tors. eta vs tors. theta energy: -142.768 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: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1805.788889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.788889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.788889 (E_RNA) where: Base-Base interactions energy: -1227.054 where: short stacking energy: -537.390 Base-Backbone interact. energy: 0.464 local terms energy: -579.199308 where: bonds (distance) C4'-P energy: -103.197 bonds (distance) P-C4' energy: -113.141 flat angles C4'-P-C4' energy: -123.735 flat angles P-C4'-P energy: -82.058 tors. eta vs tors. theta energy: -157.068 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: 76 Temperature: 1.100000 Total energy: -1579.899800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.899800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.899800 (E_RNA) where: Base-Base interactions energy: -1041.650 where: short stacking energy: -494.775 Base-Backbone interact. energy: -2.763 local terms energy: -535.486859 where: bonds (distance) C4'-P energy: -109.536 bonds (distance) P-C4' energy: -91.717 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -79.018 tors. eta vs tors. theta energy: -135.651 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: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1362.878462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.878462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.878462 (E_RNA) where: Base-Base interactions energy: -881.347 where: short stacking energy: -376.065 Base-Backbone interact. energy: -3.584 local terms energy: -477.946775 where: bonds (distance) C4'-P energy: -117.667 bonds (distance) P-C4' energy: -116.066 flat angles C4'-P-C4' energy: -104.548 flat angles P-C4'-P energy: -63.633 tors. eta vs tors. theta energy: -76.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1071.951905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.951905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.951905 (E_RNA) where: Base-Base interactions energy: -652.025 where: short stacking energy: -281.071 Base-Backbone interact. energy: -3.160 local terms energy: -416.766644 where: bonds (distance) C4'-P energy: -92.058 bonds (distance) P-C4' energy: -117.364 flat angles C4'-P-C4' energy: -105.541 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: -41.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -792.307384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.307384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.307384 (E_RNA) where: Base-Base interactions energy: -425.187 where: short stacking energy: -196.793 Base-Backbone interact. energy: -0.348 local terms energy: -366.771816 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -115.366 flat angles C4'-P-C4' energy: -93.184 flat angles P-C4'-P energy: -45.852 tors. eta vs tors. theta energy: -5.794 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: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -764.720600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.720600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.720600 (E_RNA) where: Base-Base interactions energy: -416.420 where: short stacking energy: -221.197 Base-Backbone interact. energy: -1.754 local terms energy: -346.547068 where: bonds (distance) C4'-P energy: -98.674 bonds (distance) P-C4' energy: -107.620 flat angles C4'-P-C4' energy: -94.010 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: 6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -539.533276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.533276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.533276 (E_RNA) where: Base-Base interactions energy: -202.116 where: short stacking energy: -141.902 Base-Backbone interact. energy: -1.434 local terms energy: -335.982955 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -109.584 flat angles C4'-P-C4' energy: -91.280 flat angles P-C4'-P energy: -64.865 tors. eta vs tors. theta energy: 7.504 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: 1, replica: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1979.940663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.940663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.940663 (E_RNA) where: Base-Base interactions energy: -1371.534 where: short stacking energy: -569.570 Base-Backbone interact. energy: -0.206 local terms energy: -608.200559 where: bonds (distance) C4'-P energy: -112.265 bonds (distance) P-C4' energy: -117.925 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -87.237 tors. eta vs tors. theta energy: -160.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1913.089621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.089621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.089621 (E_RNA) where: Base-Base interactions energy: -1295.573 where: short stacking energy: -545.002 Base-Backbone interact. energy: -4.079 local terms energy: -613.437943 where: bonds (distance) C4'-P energy: -121.667 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -135.804 flat angles P-C4'-P energy: -75.483 tors. eta vs tors. theta energy: -155.827 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: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1803.137282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.137282 (E_RNA) where: Base-Base interactions energy: -1229.535 where: short stacking energy: -518.085 Base-Backbone interact. energy: -3.509 local terms energy: -570.093744 where: bonds (distance) C4'-P energy: -107.091 bonds (distance) P-C4' energy: -106.336 flat angles C4'-P-C4' energy: -120.983 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -146.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1842.762931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.762931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.762931 (E_RNA) where: Base-Base interactions energy: -1269.281 where: short stacking energy: -533.113 Base-Backbone interact. energy: -4.587 local terms energy: -568.895333 where: bonds (distance) C4'-P energy: -110.998 bonds (distance) P-C4' energy: -105.833 flat angles C4'-P-C4' energy: -119.954 flat angles P-C4'-P energy: -82.850 tors. eta vs tors. theta energy: -149.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1588.448917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.448917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.448917 (E_RNA) where: Base-Base interactions energy: -1055.434 where: short stacking energy: -468.409 Base-Backbone interact. energy: -0.840 local terms energy: -532.174420 where: bonds (distance) C4'-P energy: -116.674 bonds (distance) P-C4' energy: -94.619 flat angles C4'-P-C4' energy: -119.499 flat angles P-C4'-P energy: -69.017 tors. eta vs tors. theta energy: -132.367 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: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1230.932996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.932996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.932996 (E_RNA) where: Base-Base interactions energy: -779.260 where: short stacking energy: -362.279 Base-Backbone interact. energy: -3.407 local terms energy: -448.265882 where: bonds (distance) C4'-P energy: -116.028 bonds (distance) P-C4' energy: -108.915 flat angles C4'-P-C4' energy: -95.178 flat angles P-C4'-P energy: -55.318 tors. eta vs tors. theta energy: -72.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1073.410608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.410608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.410608 (E_RNA) where: Base-Base interactions energy: -622.744 where: short stacking energy: -311.659 Base-Backbone interact. energy: -3.594 local terms energy: -447.072240 where: bonds (distance) C4'-P energy: -109.074 bonds (distance) P-C4' energy: -108.823 flat angles C4'-P-C4' energy: -92.682 flat angles P-C4'-P energy: -72.698 tors. eta vs tors. theta energy: -63.796 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: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -848.413757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.413757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.413757 (E_RNA) where: Base-Base interactions energy: -478.196 where: short stacking energy: -233.210 Base-Backbone interact. energy: -1.378 local terms energy: -368.839644 where: bonds (distance) C4'-P energy: -80.898 bonds (distance) P-C4' energy: -86.314 flat angles C4'-P-C4' energy: -98.771 flat angles P-C4'-P energy: -67.524 tors. eta vs tors. theta energy: -35.333 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: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -750.029180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.029180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.029180 (E_RNA) where: Base-Base interactions energy: -409.161 where: short stacking energy: -200.225 Base-Backbone interact. energy: 1.499 local terms energy: -342.367759 where: bonds (distance) C4'-P energy: -106.311 bonds (distance) P-C4' energy: -107.079 flat angles C4'-P-C4' energy: -78.551 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -3.375 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: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -468.147870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.147870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.147870 (E_RNA) where: Base-Base interactions energy: -179.052 where: short stacking energy: -150.198 Base-Backbone interact. energy: -2.438 local terms energy: -286.657143 where: bonds (distance) C4'-P energy: -91.688 bonds (distance) P-C4' energy: -91.728 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -57.606 tors. eta vs tors. theta energy: 22.136 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: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1999.601264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.601264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.601264 (E_RNA) where: Base-Base interactions energy: -1386.422 where: short stacking energy: -583.107 Base-Backbone interact. energy: -3.698 local terms energy: -609.481185 where: bonds (distance) C4'-P energy: -113.576 bonds (distance) P-C4' energy: -113.488 flat angles C4'-P-C4' energy: -132.740 flat angles P-C4'-P energy: -78.609 tors. eta vs tors. theta energy: -171.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1884.493745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.493745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.493745 (E_RNA) where: Base-Base interactions energy: -1286.029 where: short stacking energy: -552.133 Base-Backbone interact. energy: -4.170 local terms energy: -594.295092 where: bonds (distance) C4'-P energy: -117.415 bonds (distance) P-C4' energy: -105.595 flat angles C4'-P-C4' energy: -130.913 flat angles P-C4'-P energy: -85.990 tors. eta vs tors. theta energy: -154.382 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: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1871.218823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.218823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.218823 (E_RNA) where: Base-Base interactions energy: -1286.939 where: short stacking energy: -538.026 Base-Backbone interact. energy: -2.703 local terms energy: -581.576970 where: bonds (distance) C4'-P energy: -106.728 bonds (distance) P-C4' energy: -122.152 flat angles C4'-P-C4' energy: -124.060 flat angles P-C4'-P energy: -73.359 tors. eta vs tors. theta energy: -155.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1754.285735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.285735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.285735 (E_RNA) where: Base-Base interactions energy: -1159.144 where: short stacking energy: -519.032 Base-Backbone interact. energy: -2.620 local terms energy: -592.521729 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -115.726 flat angles C4'-P-C4' energy: -124.259 flat angles P-C4'-P energy: -86.669 tors. eta vs tors. theta energy: -153.709 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: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1567.579023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.579023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.579023 (E_RNA) where: Base-Base interactions energy: -1042.739 where: short stacking energy: -450.443 Base-Backbone interact. energy: -2.794 local terms energy: -522.045759 where: bonds (distance) C4'-P energy: -96.775 bonds (distance) P-C4' energy: -106.503 flat angles C4'-P-C4' energy: -122.455 flat angles P-C4'-P energy: -69.652 tors. eta vs tors. theta energy: -126.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1351.824793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.824793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.824793 (E_RNA) where: Base-Base interactions energy: -878.409 where: short stacking energy: -410.467 Base-Backbone interact. energy: -0.861 local terms energy: -472.555393 where: bonds (distance) C4'-P energy: -104.688 bonds (distance) P-C4' energy: -107.045 flat angles C4'-P-C4' energy: -106.962 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: -90.956 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: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1161.587719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.587719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.587719 (E_RNA) where: Base-Base interactions energy: -718.118 where: short stacking energy: -310.191 Base-Backbone interact. energy: -2.256 local terms energy: -441.213203 where: bonds (distance) C4'-P energy: -92.600 bonds (distance) P-C4' energy: -99.161 flat angles C4'-P-C4' energy: -108.733 flat angles P-C4'-P energy: -84.690 tors. eta vs tors. theta energy: -56.029 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: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -833.601576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.601576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.601576 (E_RNA) where: Base-Base interactions energy: -442.695 where: short stacking energy: -234.708 Base-Backbone interact. energy: 0.563 local terms energy: -391.470059 where: bonds (distance) C4'-P energy: -87.905 bonds (distance) P-C4' energy: -110.844 flat angles C4'-P-C4' energy: -90.709 flat angles P-C4'-P energy: -71.235 tors. eta vs tors. theta energy: -30.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -804.208848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.208848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.208848 (E_RNA) where: Base-Base interactions energy: -449.261 where: short stacking energy: -214.653 Base-Backbone interact. energy: 2.593 local terms energy: -357.541302 where: bonds (distance) C4'-P energy: -80.875 bonds (distance) P-C4' energy: -109.212 flat angles C4'-P-C4' energy: -91.772 flat angles P-C4'-P energy: -53.121 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: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -481.039896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.039896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.039896 (E_RNA) where: Base-Base interactions energy: -177.672 where: short stacking energy: -113.491 Base-Backbone interact. energy: -0.443 local terms energy: -302.925006 where: bonds (distance) C4'-P energy: -109.383 bonds (distance) P-C4' energy: -71.778 flat angles C4'-P-C4' energy: -98.592 flat angles P-C4'-P energy: -49.716 tors. eta vs tors. theta energy: 26.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2027.509968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.509968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.509968 (E_RNA) where: Base-Base interactions energy: -1409.335 where: short stacking energy: -578.541 Base-Backbone interact. energy: -0.499 local terms energy: -617.676080 where: bonds (distance) C4'-P energy: -110.611 bonds (distance) P-C4' energy: -110.015 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -88.444 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1925.437224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.437224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.437224 (E_RNA) where: Base-Base interactions energy: -1335.518 where: short stacking energy: -571.080 Base-Backbone interact. energy: -1.218 local terms energy: -588.701274 where: bonds (distance) C4'-P energy: -106.026 bonds (distance) P-C4' energy: -97.342 flat angles C4'-P-C4' energy: -131.494 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -159.114 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: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1820.375018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.375018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.375018 (E_RNA) where: Base-Base interactions energy: -1237.122 where: short stacking energy: -543.835 Base-Backbone interact. energy: -3.666 local terms energy: -579.587147 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -100.228 flat angles C4'-P-C4' energy: -127.631 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: -167.018 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: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1747.876327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.876327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.876327 (E_RNA) where: Base-Base interactions energy: -1173.801 where: short stacking energy: -513.422 Base-Backbone interact. energy: -2.747 local terms energy: -571.328064 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -115.419 flat angles C4'-P-C4' energy: -122.500 flat angles P-C4'-P energy: -87.019 tors. eta vs tors. theta energy: -144.537 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: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1601.940701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.940701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.940701 (E_RNA) where: Base-Base interactions energy: -1072.158 where: short stacking energy: -473.631 Base-Backbone interact. energy: 1.897 local terms energy: -531.679202 where: bonds (distance) C4'-P energy: -106.401 bonds (distance) P-C4' energy: -96.704 flat angles C4'-P-C4' energy: -113.363 flat angles P-C4'-P energy: -73.429 tors. eta vs tors. theta energy: -141.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1322.195309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.195309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.195309 (E_RNA) where: Base-Base interactions energy: -845.246 where: short stacking energy: -377.317 Base-Backbone interact. energy: -3.084 local terms energy: -473.864948 where: bonds (distance) C4'-P energy: -104.541 bonds (distance) P-C4' energy: -118.145 flat angles C4'-P-C4' energy: -122.069 flat angles P-C4'-P energy: -53.719 tors. eta vs tors. theta energy: -75.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1111.557636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.557636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.557636 (E_RNA) where: Base-Base interactions energy: -686.782 where: short stacking energy: -324.527 Base-Backbone interact. energy: -5.356 local terms energy: -419.419931 where: bonds (distance) C4'-P energy: -99.560 bonds (distance) P-C4' energy: -89.194 flat angles C4'-P-C4' energy: -109.149 flat angles P-C4'-P energy: -52.765 tors. eta vs tors. theta energy: -68.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -899.075348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.075348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.075348 (E_RNA) where: Base-Base interactions energy: -486.446 where: short stacking energy: -234.281 Base-Backbone interact. energy: 2.039 local terms energy: -414.667779 where: bonds (distance) C4'-P energy: -89.276 bonds (distance) P-C4' energy: -113.688 flat angles C4'-P-C4' energy: -119.729 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -37.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -798.460790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.460790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.460790 (E_RNA) where: Base-Base interactions energy: -450.239 where: short stacking energy: -187.654 Base-Backbone interact. energy: 0.548 local terms energy: -348.769525 where: bonds (distance) C4'-P energy: -101.081 bonds (distance) P-C4' energy: -98.623 flat angles C4'-P-C4' energy: -90.465 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -9.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -475.573206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.573206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.573206 (E_RNA) where: Base-Base interactions energy: -165.516 where: short stacking energy: -123.747 Base-Backbone interact. energy: 0.297 local terms energy: -310.354300 where: bonds (distance) C4'-P energy: -108.767 bonds (distance) P-C4' energy: -110.043 flat angles C4'-P-C4' energy: -68.114 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: 25.210 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: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2025.302862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.302862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.302862 (E_RNA) where: Base-Base interactions energy: -1389.455 where: short stacking energy: -591.571 Base-Backbone interact. energy: 0.451 local terms energy: -636.298535 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -125.910 flat angles C4'-P-C4' energy: -135.867 flat angles P-C4'-P energy: -81.045 tors. eta vs tors. theta energy: -173.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1947.722045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.722045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.722045 (E_RNA) where: Base-Base interactions energy: -1356.934 where: short stacking energy: -547.862 Base-Backbone interact. energy: -4.916 local terms energy: -585.872756 where: bonds (distance) C4'-P energy: -102.997 bonds (distance) P-C4' energy: -102.641 flat angles C4'-P-C4' energy: -122.718 flat angles P-C4'-P energy: -90.986 tors. eta vs tors. theta energy: -166.530 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: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1813.536086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.536086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.536086 (E_RNA) where: Base-Base interactions energy: -1249.306 where: short stacking energy: -493.507 Base-Backbone interact. energy: -3.544 local terms energy: -560.686555 where: bonds (distance) C4'-P energy: -111.050 bonds (distance) P-C4' energy: -116.157 flat angles C4'-P-C4' energy: -122.803 flat angles P-C4'-P energy: -72.333 tors. eta vs tors. theta energy: -138.344 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: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1722.525473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.525473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.525473 (E_RNA) where: Base-Base interactions energy: -1202.075 where: short stacking energy: -483.856 Base-Backbone interact. energy: -0.323 local terms energy: -520.127355 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -98.606 flat angles C4'-P-C4' energy: -109.071 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: -140.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1570.082668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.082668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.082668 (E_RNA) where: Base-Base interactions energy: -1023.450 where: short stacking energy: -442.424 Base-Backbone interact. energy: -1.089 local terms energy: -545.544437 where: bonds (distance) C4'-P energy: -99.119 bonds (distance) P-C4' energy: -113.114 flat angles C4'-P-C4' energy: -125.842 flat angles P-C4'-P energy: -86.825 tors. eta vs tors. theta energy: -120.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1352.117219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.117219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.117219 (E_RNA) where: Base-Base interactions energy: -866.286 where: short stacking energy: -386.259 Base-Backbone interact. energy: -1.850 local terms energy: -483.981924 where: bonds (distance) C4'-P energy: -115.742 bonds (distance) P-C4' energy: -105.304 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -63.355 tors. eta vs tors. theta energy: -86.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1120.388213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.388213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.388213 (E_RNA) where: Base-Base interactions energy: -706.686 where: short stacking energy: -316.235 Base-Backbone interact. energy: -4.037 local terms energy: -409.665165 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -91.556 flat angles C4'-P-C4' energy: -101.330 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -50.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -958.874246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.874246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.874246 (E_RNA) where: Base-Base interactions energy: -540.546 where: short stacking energy: -285.557 Base-Backbone interact. energy: 0.845 local terms energy: -419.172742 where: bonds (distance) C4'-P energy: -91.651 bonds (distance) P-C4' energy: -107.597 flat angles C4'-P-C4' energy: -85.030 flat angles P-C4'-P energy: -70.345 tors. eta vs tors. theta energy: -64.549 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: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -843.295837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.295837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.295837 (E_RNA) where: Base-Base interactions energy: -499.805 where: short stacking energy: -207.327 Base-Backbone interact. energy: -3.223 local terms energy: -340.268379 where: bonds (distance) C4'-P energy: -88.096 bonds (distance) P-C4' energy: -99.437 flat angles C4'-P-C4' energy: -77.868 flat angles P-C4'-P energy: -58.071 tors. eta vs tors. theta energy: -16.797 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: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -517.244819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.244819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.244819 (E_RNA) where: Base-Base interactions energy: -240.934 where: short stacking energy: -150.805 Base-Backbone interact. energy: 2.156 local terms energy: -278.467470 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -92.350 flat angles C4'-P-C4' energy: -84.170 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: 16.945 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: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2036.382341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.382341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.382341 (E_RNA) where: Base-Base interactions energy: -1391.177 where: short stacking energy: -586.637 Base-Backbone interact. energy: 2.089 local terms energy: -647.293545 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -126.420 flat angles C4'-P-C4' energy: -134.297 flat angles P-C4'-P energy: -101.539 tors. eta vs tors. theta energy: -174.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1986.646341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.646341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.646341 (E_RNA) where: Base-Base interactions energy: -1372.596 where: short stacking energy: -587.431 Base-Backbone interact. energy: 0.475 local terms energy: -614.525870 where: bonds (distance) C4'-P energy: -114.651 bonds (distance) P-C4' energy: -123.140 flat angles C4'-P-C4' energy: -136.611 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -164.574 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: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1776.832021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.832021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.832021 (E_RNA) where: Base-Base interactions energy: -1209.331 where: short stacking energy: -480.692 Base-Backbone interact. energy: -3.766 local terms energy: -563.735422 where: bonds (distance) C4'-P energy: -110.457 bonds (distance) P-C4' energy: -124.749 flat angles C4'-P-C4' energy: -131.627 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -119.425 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: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1734.185616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.185616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.185616 (E_RNA) where: Base-Base interactions energy: -1155.524 where: short stacking energy: -517.852 Base-Backbone interact. energy: -5.069 local terms energy: -573.592571 where: bonds (distance) C4'-P energy: -105.664 bonds (distance) P-C4' energy: -111.916 flat angles C4'-P-C4' energy: -118.275 flat angles P-C4'-P energy: -87.963 tors. eta vs tors. theta energy: -149.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1570.581532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.581532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.581532 (E_RNA) where: Base-Base interactions energy: -1030.625 where: short stacking energy: -461.804 Base-Backbone interact. energy: 0.806 local terms energy: -540.762669 where: bonds (distance) C4'-P energy: -100.445 bonds (distance) P-C4' energy: -116.078 flat angles C4'-P-C4' energy: -106.797 flat angles P-C4'-P energy: -80.299 tors. eta vs tors. theta energy: -137.143 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: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1320.146390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.146390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.146390 (E_RNA) where: Base-Base interactions energy: -842.649 where: short stacking energy: -400.627 Base-Backbone interact. energy: 1.888 local terms energy: -479.385831 where: bonds (distance) C4'-P energy: -101.052 bonds (distance) P-C4' energy: -102.062 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: -102.696 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1137.956591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.956591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.956591 (E_RNA) where: Base-Base interactions energy: -713.713 where: short stacking energy: -309.240 Base-Backbone interact. energy: 0.047 local terms energy: -424.290026 where: bonds (distance) C4'-P energy: -111.889 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -98.725 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -59.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -800.095702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.095702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.095702 (E_RNA) where: Base-Base interactions energy: -447.349 where: short stacking energy: -227.351 Base-Backbone interact. energy: -2.527 local terms energy: -350.220404 where: bonds (distance) C4'-P energy: -108.193 bonds (distance) P-C4' energy: -98.433 flat angles C4'-P-C4' energy: -83.825 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -10.152 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: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -895.612410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.612410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.612410 (E_RNA) where: Base-Base interactions energy: -525.389 where: short stacking energy: -261.702 Base-Backbone interact. energy: 3.807 local terms energy: -374.030464 where: bonds (distance) C4'-P energy: -88.508 bonds (distance) P-C4' energy: -93.264 flat angles C4'-P-C4' energy: -102.359 flat angles P-C4'-P energy: -53.304 tors. eta vs tors. theta energy: -36.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -564.490714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.490714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.490714 (E_RNA) where: Base-Base interactions energy: -251.366 where: short stacking energy: -182.733 Base-Backbone interact. energy: 5.072 local terms energy: -318.196104 where: bonds (distance) C4'-P energy: -82.721 bonds (distance) P-C4' energy: -93.894 flat angles C4'-P-C4' energy: -88.582 flat angles P-C4'-P energy: -55.504 tors. eta vs tors. theta energy: 2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2052.886542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.886542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.886542 (E_RNA) where: Base-Base interactions energy: -1414.255 where: short stacking energy: -573.905 Base-Backbone interact. energy: -2.871 local terms energy: -635.761006 where: bonds (distance) C4'-P energy: -116.557 bonds (distance) P-C4' energy: -114.133 flat angles C4'-P-C4' energy: -140.056 flat angles P-C4'-P energy: -89.696 tors. eta vs tors. theta energy: -175.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1967.526334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.526334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.526334 (E_RNA) where: Base-Base interactions energy: -1361.777 where: short stacking energy: -577.826 Base-Backbone interact. energy: -1.774 local terms energy: -603.975660 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -111.260 flat angles C4'-P-C4' energy: -123.165 flat angles P-C4'-P energy: -89.426 tors. eta vs tors. theta energy: -171.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1819.755614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.755614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.755614 (E_RNA) where: Base-Base interactions energy: -1214.646 where: short stacking energy: -535.799 Base-Backbone interact. energy: -2.927 local terms energy: -602.183412 where: bonds (distance) C4'-P energy: -121.992 bonds (distance) P-C4' energy: -135.908 flat angles C4'-P-C4' energy: -127.106 flat angles P-C4'-P energy: -70.585 tors. eta vs tors. theta energy: -146.592 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: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1730.342006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.342006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.342006 (E_RNA) where: Base-Base interactions energy: -1177.808 where: short stacking energy: -484.347 Base-Backbone interact. energy: 0.461 local terms energy: -552.995672 where: bonds (distance) C4'-P energy: -113.541 bonds (distance) P-C4' energy: -103.236 flat angles C4'-P-C4' energy: -123.027 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -128.384 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: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1630.943747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.943747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.943747 (E_RNA) where: Base-Base interactions energy: -1106.174 where: short stacking energy: -479.944 Base-Backbone interact. energy: 0.897 local terms energy: -525.666251 where: bonds (distance) C4'-P energy: -106.481 bonds (distance) P-C4' energy: -106.434 flat angles C4'-P-C4' energy: -115.752 flat angles P-C4'-P energy: -66.245 tors. eta vs tors. theta energy: -130.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1333.463929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.463929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.463929 (E_RNA) where: Base-Base interactions energy: -871.695 where: short stacking energy: -373.227 Base-Backbone interact. energy: -3.118 local terms energy: -458.651164 where: bonds (distance) C4'-P energy: -107.577 bonds (distance) P-C4' energy: -96.400 flat angles C4'-P-C4' energy: -99.337 flat angles P-C4'-P energy: -60.846 tors. eta vs tors. theta energy: -94.491 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: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1166.623581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.623581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.623581 (E_RNA) where: Base-Base interactions energy: -755.751 where: short stacking energy: -355.409 Base-Backbone interact. energy: -1.137 local terms energy: -409.735953 where: bonds (distance) C4'-P energy: -87.866 bonds (distance) P-C4' energy: -99.426 flat angles C4'-P-C4' energy: -101.437 flat angles P-C4'-P energy: -55.041 tors. eta vs tors. theta energy: -65.966 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: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -844.582963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.582963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.582963 (E_RNA) where: Base-Base interactions energy: -445.757 where: short stacking energy: -226.977 Base-Backbone interact. energy: -2.307 local terms energy: -396.518693 where: bonds (distance) C4'-P energy: -98.057 bonds (distance) P-C4' energy: -106.167 flat angles C4'-P-C4' energy: -95.209 flat angles P-C4'-P energy: -69.589 tors. eta vs tors. theta energy: -27.497 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: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -890.666319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.666319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.666319 (E_RNA) where: Base-Base interactions energy: -498.492 where: short stacking energy: -244.955 Base-Backbone interact. energy: -0.217 local terms energy: -391.957807 where: bonds (distance) C4'-P energy: -76.263 bonds (distance) P-C4' energy: -121.056 flat angles C4'-P-C4' energy: -95.472 flat angles P-C4'-P energy: -60.583 tors. eta vs tors. theta energy: -38.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -529.256887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.256887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.256887 (E_RNA) where: Base-Base interactions energy: -233.718 where: short stacking energy: -162.331 Base-Backbone interact. energy: 0.754 local terms energy: -296.293161 where: bonds (distance) C4'-P energy: -91.468 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -81.658 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: 17.732 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: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2041.938763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.938763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.938763 (E_RNA) where: Base-Base interactions energy: -1415.515 where: short stacking energy: -578.146 Base-Backbone interact. energy: -1.411 local terms energy: -625.013235 where: bonds (distance) C4'-P energy: -113.876 bonds (distance) P-C4' energy: -130.261 flat angles C4'-P-C4' energy: -130.585 flat angles P-C4'-P energy: -87.110 tors. eta vs tors. theta energy: -163.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1923.692741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.692741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.692741 (E_RNA) where: Base-Base interactions energy: -1309.342 where: short stacking energy: -575.881 Base-Backbone interact. energy: -4.085 local terms energy: -610.266196 where: bonds (distance) C4'-P energy: -112.441 bonds (distance) P-C4' energy: -117.154 flat angles C4'-P-C4' energy: -132.240 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -170.297 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1822.939629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.939629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.939629 (E_RNA) where: Base-Base interactions energy: -1239.208 where: short stacking energy: -522.871 Base-Backbone interact. energy: 3.713 local terms energy: -587.444999 where: bonds (distance) C4'-P energy: -108.887 bonds (distance) P-C4' energy: -128.824 flat angles C4'-P-C4' energy: -133.151 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -149.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1740.629128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.629128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.629128 (E_RNA) where: Base-Base interactions energy: -1183.003 where: short stacking energy: -517.920 Base-Backbone interact. energy: -2.742 local terms energy: -554.884699 where: bonds (distance) C4'-P energy: -110.186 bonds (distance) P-C4' energy: -92.403 flat angles C4'-P-C4' energy: -129.876 flat angles P-C4'-P energy: -83.537 tors. eta vs tors. theta energy: -138.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1631.397805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.397805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.397805 (E_RNA) where: Base-Base interactions energy: -1112.528 where: short stacking energy: -464.681 Base-Backbone interact. energy: -3.890 local terms energy: -514.979766 where: bonds (distance) C4'-P energy: -87.247 bonds (distance) P-C4' energy: -93.587 flat angles C4'-P-C4' energy: -120.338 flat angles P-C4'-P energy: -71.888 tors. eta vs tors. theta energy: -141.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1345.440394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.440394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.440394 (E_RNA) where: Base-Base interactions energy: -891.552 where: short stacking energy: -397.836 Base-Backbone interact. energy: -0.550 local terms energy: -453.338145 where: bonds (distance) C4'-P energy: -103.911 bonds (distance) P-C4' energy: -111.639 flat angles C4'-P-C4' energy: -90.257 flat angles P-C4'-P energy: -61.852 tors. eta vs tors. theta energy: -85.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1176.067289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.067289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.067289 (E_RNA) where: Base-Base interactions energy: -742.650 where: short stacking energy: -340.688 Base-Backbone interact. energy: -0.845 local terms energy: -432.571580 where: bonds (distance) C4'-P energy: -99.608 bonds (distance) P-C4' energy: -101.906 flat angles C4'-P-C4' energy: -110.263 flat angles P-C4'-P energy: -64.356 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: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -948.791826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.791826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.791826 (E_RNA) where: Base-Base interactions energy: -542.589 where: short stacking energy: -283.232 Base-Backbone interact. energy: 4.341 local terms energy: -410.544742 where: bonds (distance) C4'-P energy: -100.791 bonds (distance) P-C4' energy: -116.132 flat angles C4'-P-C4' energy: -91.012 flat angles P-C4'-P energy: -58.254 tors. eta vs tors. theta energy: -44.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -761.350143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.350143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.350143 (E_RNA) where: Base-Base interactions energy: -394.798 where: short stacking energy: -196.994 Base-Backbone interact. energy: 2.979 local terms energy: -369.531228 where: bonds (distance) C4'-P energy: -107.818 bonds (distance) P-C4' energy: -107.727 flat angles C4'-P-C4' energy: -92.857 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -12.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -487.219833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.219833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.219833 (E_RNA) where: Base-Base interactions energy: -195.574 where: short stacking energy: -140.080 Base-Backbone interact. energy: 6.511 local terms energy: -298.157108 where: bonds (distance) C4'-P energy: -92.374 bonds (distance) P-C4' energy: -92.804 flat angles C4'-P-C4' energy: -92.694 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: 26.921 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: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2070.444050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.444050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.444050 (E_RNA) where: Base-Base interactions energy: -1435.809 where: short stacking energy: -584.314 Base-Backbone interact. energy: -2.505 local terms energy: -632.130774 where: bonds (distance) C4'-P energy: -116.460 bonds (distance) P-C4' energy: -122.007 flat angles C4'-P-C4' energy: -137.909 flat angles P-C4'-P energy: -89.667 tors. eta vs tors. theta energy: -166.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1979.702889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.702889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.702889 (E_RNA) where: Base-Base interactions energy: -1346.386 where: short stacking energy: -572.560 Base-Backbone interact. energy: -3.946 local terms energy: -629.370467 where: bonds (distance) C4'-P energy: -113.673 bonds (distance) P-C4' energy: -122.869 flat angles C4'-P-C4' energy: -131.424 flat angles P-C4'-P energy: -88.268 tors. eta vs tors. theta energy: -173.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1816.059776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.059776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.059776 (E_RNA) where: Base-Base interactions energy: -1247.744 where: short stacking energy: -544.902 Base-Backbone interact. energy: -4.443 local terms energy: -563.872570 where: bonds (distance) C4'-P energy: -112.602 bonds (distance) P-C4' energy: -103.181 flat angles C4'-P-C4' energy: -132.457 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -147.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1743.124641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.124641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.124641 (E_RNA) where: Base-Base interactions energy: -1199.351 where: short stacking energy: -501.577 Base-Backbone interact. energy: -0.426 local terms energy: -543.347321 where: bonds (distance) C4'-P energy: -102.453 bonds (distance) P-C4' energy: -112.503 flat angles C4'-P-C4' energy: -122.886 flat angles P-C4'-P energy: -83.992 tors. eta vs tors. theta energy: -121.513 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: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1618.677785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.677785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.677785 (E_RNA) where: Base-Base interactions energy: -1100.593 where: short stacking energy: -462.845 Base-Backbone interact. energy: 0.418 local terms energy: -518.502189 where: bonds (distance) C4'-P energy: -89.609 bonds (distance) P-C4' energy: -110.527 flat angles C4'-P-C4' energy: -124.549 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -123.210 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: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1343.810677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.810677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.810677 (E_RNA) where: Base-Base interactions energy: -871.084 where: short stacking energy: -392.563 Base-Backbone interact. energy: 2.662 local terms energy: -475.388096 where: bonds (distance) C4'-P energy: -97.434 bonds (distance) P-C4' energy: -116.443 flat angles C4'-P-C4' energy: -113.103 flat angles P-C4'-P energy: -71.033 tors. eta vs tors. theta energy: -77.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1213.805967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.805967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.805967 (E_RNA) where: Base-Base interactions energy: -792.897 where: short stacking energy: -332.484 Base-Backbone interact. energy: -0.135 local terms energy: -420.773846 where: bonds (distance) C4'-P energy: -100.440 bonds (distance) P-C4' energy: -97.370 flat angles C4'-P-C4' energy: -99.531 flat angles P-C4'-P energy: -64.282 tors. eta vs tors. theta energy: -59.151 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -912.728089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.728089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.728089 (E_RNA) where: Base-Base interactions energy: -510.889 where: short stacking energy: -253.339 Base-Backbone interact. energy: -1.262 local terms energy: -400.577195 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -84.390 flat angles C4'-P-C4' energy: -110.308 flat angles P-C4'-P energy: -59.085 tors. eta vs tors. theta energy: -47.896 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: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -810.750162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.750162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.750162 (E_RNA) where: Base-Base interactions energy: -462.132 where: short stacking energy: -228.440 Base-Backbone interact. energy: -3.553 local terms energy: -345.064892 where: bonds (distance) C4'-P energy: -96.417 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -88.468 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -12.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -449.331246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.331246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.331246 (E_RNA) where: Base-Base interactions energy: -142.462 where: short stacking energy: -112.470 Base-Backbone interact. energy: 1.679 local terms energy: -308.548323 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -95.623 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: 21.453 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: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2062.317935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.317935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.317935 (E_RNA) where: Base-Base interactions energy: -1446.686 where: short stacking energy: -607.964 Base-Backbone interact. energy: -1.627 local terms energy: -614.005207 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -124.786 flat angles C4'-P-C4' energy: -129.751 flat angles P-C4'-P energy: -70.987 tors. eta vs tors. theta energy: -173.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1961.809385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.809385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.809385 (E_RNA) where: Base-Base interactions energy: -1352.258 where: short stacking energy: -559.897 Base-Backbone interact. energy: -4.806 local terms energy: -604.746260 where: bonds (distance) C4'-P energy: -108.502 bonds (distance) P-C4' energy: -115.989 flat angles C4'-P-C4' energy: -136.047 flat angles P-C4'-P energy: -86.914 tors. eta vs tors. theta energy: -157.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1826.574552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.574552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.574552 (E_RNA) where: Base-Base interactions energy: -1261.249 where: short stacking energy: -537.267 Base-Backbone interact. energy: -0.198 local terms energy: -565.127464 where: bonds (distance) C4'-P energy: -102.800 bonds (distance) P-C4' energy: -108.539 flat angles C4'-P-C4' energy: -130.006 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: -149.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1749.910534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.910534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.910534 (E_RNA) where: Base-Base interactions energy: -1211.817 where: short stacking energy: -485.505 Base-Backbone interact. energy: -2.544 local terms energy: -535.549796 where: bonds (distance) C4'-P energy: -92.524 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -120.898 flat angles P-C4'-P energy: -78.310 tors. eta vs tors. theta energy: -131.985 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: 85 Temperature: 1.100000 Total energy: -1658.111603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.111603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.111603 (E_RNA) where: Base-Base interactions energy: -1129.924 where: short stacking energy: -464.898 Base-Backbone interact. energy: -0.554 local terms energy: -527.632942 where: bonds (distance) C4'-P energy: -93.348 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -130.971 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -130.975 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: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1320.745577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.745577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.745577 (E_RNA) where: Base-Base interactions energy: -838.783 where: short stacking energy: -376.847 Base-Backbone interact. energy: -1.307 local terms energy: -480.654930 where: bonds (distance) C4'-P energy: -104.483 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -114.402 flat angles P-C4'-P energy: -70.638 tors. eta vs tors. theta energy: -81.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1252.658001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.658001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.658001 (E_RNA) where: Base-Base interactions energy: -820.920 where: short stacking energy: -343.242 Base-Backbone interact. energy: -1.770 local terms energy: -429.967749 where: bonds (distance) C4'-P energy: -97.638 bonds (distance) P-C4' energy: -113.055 flat angles C4'-P-C4' energy: -105.809 flat angles P-C4'-P energy: -59.384 tors. eta vs tors. theta energy: -54.081 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: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -942.882003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.882003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.882003 (E_RNA) where: Base-Base interactions energy: -522.096 where: short stacking energy: -271.699 Base-Backbone interact. energy: -2.970 local terms energy: -417.816136 where: bonds (distance) C4'-P energy: -103.150 bonds (distance) P-C4' energy: -114.663 flat angles C4'-P-C4' energy: -108.790 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: -43.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -863.296386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.296386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.296386 (E_RNA) where: Base-Base interactions energy: -490.021 where: short stacking energy: -231.511 Base-Backbone interact. energy: 1.423 local terms energy: -374.698467 where: bonds (distance) C4'-P energy: -91.465 bonds (distance) P-C4' energy: -116.040 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -21.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -482.048305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.048305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.048305 (E_RNA) where: Base-Base interactions energy: -187.929 where: short stacking energy: -146.896 Base-Backbone interact. energy: 9.330 local terms energy: -303.449061 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -60.107 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: 16.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2050.580646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.580646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.580646 (E_RNA) where: Base-Base interactions energy: -1427.565 where: short stacking energy: -614.234 Base-Backbone interact. energy: -3.214 local terms energy: -619.801864 where: bonds (distance) C4'-P energy: -114.300 bonds (distance) P-C4' energy: -113.201 flat angles C4'-P-C4' energy: -129.625 flat angles P-C4'-P energy: -90.267 tors. eta vs tors. theta energy: -172.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1916.074445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.074445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.074445 (E_RNA) where: Base-Base interactions energy: -1297.811 where: short stacking energy: -569.933 Base-Backbone interact. energy: -3.433 local terms energy: -614.830339 where: bonds (distance) C4'-P energy: -100.895 bonds (distance) P-C4' energy: -130.010 flat angles C4'-P-C4' energy: -135.239 flat angles P-C4'-P energy: -84.373 tors. eta vs tors. theta energy: -164.313 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: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1824.891628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.891628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.891628 (E_RNA) where: Base-Base interactions energy: -1247.057 where: short stacking energy: -516.266 Base-Backbone interact. energy: -1.560 local terms energy: -576.274554 where: bonds (distance) C4'-P energy: -112.746 bonds (distance) P-C4' energy: -119.306 flat angles C4'-P-C4' energy: -130.455 flat angles P-C4'-P energy: -69.712 tors. eta vs tors. theta energy: -144.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1714.038659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.038659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.038659 (E_RNA) where: Base-Base interactions energy: -1188.955 where: short stacking energy: -509.100 Base-Backbone interact. energy: -1.353 local terms energy: -523.731022 where: bonds (distance) C4'-P energy: -108.361 bonds (distance) P-C4' energy: -100.957 flat angles C4'-P-C4' energy: -112.221 flat angles P-C4'-P energy: -67.645 tors. eta vs tors. theta energy: -134.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1671.994098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.994098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.994098 (E_RNA) where: Base-Base interactions energy: -1136.996 where: short stacking energy: -452.384 Base-Backbone interact. energy: -2.441 local terms energy: -532.556613 where: bonds (distance) C4'-P energy: -101.971 bonds (distance) P-C4' energy: -102.464 flat angles C4'-P-C4' energy: -125.585 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -128.672 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: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1291.117061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.117061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.117061 (E_RNA) where: Base-Base interactions energy: -838.717 where: short stacking energy: -384.408 Base-Backbone interact. energy: 2.144 local terms energy: -454.543820 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -101.923 flat angles C4'-P-C4' energy: -103.803 flat angles P-C4'-P energy: -82.789 tors. eta vs tors. theta energy: -77.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1268.245830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.245830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.245830 (E_RNA) where: Base-Base interactions energy: -817.558 where: short stacking energy: -364.035 Base-Backbone interact. energy: 0.746 local terms energy: -451.433399 where: bonds (distance) C4'-P energy: -91.664 bonds (distance) P-C4' energy: -90.665 flat angles C4'-P-C4' energy: -119.666 flat angles P-C4'-P energy: -68.861 tors. eta vs tors. theta energy: -80.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -855.288493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.288493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.288493 (E_RNA) where: Base-Base interactions energy: -459.561 where: short stacking energy: -234.785 Base-Backbone interact. energy: 0.949 local terms energy: -396.676612 where: bonds (distance) C4'-P energy: -97.017 bonds (distance) P-C4' energy: -112.003 flat angles C4'-P-C4' energy: -101.354 flat angles P-C4'-P energy: -70.512 tors. eta vs tors. theta energy: -15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -939.567608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.567608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.567608 (E_RNA) where: Base-Base interactions energy: -556.994 where: short stacking energy: -278.552 Base-Backbone interact. energy: 0.091 local terms energy: -382.664831 where: bonds (distance) C4'-P energy: -96.657 bonds (distance) P-C4' energy: -103.503 flat angles C4'-P-C4' energy: -88.896 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: -43.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -450.442859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.442859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.442859 (E_RNA) where: Base-Base interactions energy: -150.610 where: short stacking energy: -126.144 Base-Backbone interact. energy: -0.771 local terms energy: -299.062493 where: bonds (distance) C4'-P energy: -102.125 bonds (distance) P-C4' energy: -106.978 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -47.801 tors. eta vs tors. theta energy: 40.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2022.741080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.741080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.741080 (E_RNA) where: Base-Base interactions energy: -1404.138 where: short stacking energy: -579.088 Base-Backbone interact. energy: -1.094 local terms energy: -617.509530 where: bonds (distance) C4'-P energy: -105.810 bonds (distance) P-C4' energy: -120.666 flat angles C4'-P-C4' energy: -138.455 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -166.034 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: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1856.891337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.891337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.891337 (E_RNA) where: Base-Base interactions energy: -1281.910 where: short stacking energy: -532.977 Base-Backbone interact. energy: -1.884 local terms energy: -573.096633 where: bonds (distance) C4'-P energy: -95.319 bonds (distance) P-C4' energy: -105.334 flat angles C4'-P-C4' energy: -134.873 flat angles P-C4'-P energy: -86.821 tors. eta vs tors. theta energy: -150.750 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: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1899.220805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.220805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.220805 (E_RNA) where: Base-Base interactions energy: -1284.274 where: short stacking energy: -566.956 Base-Backbone interact. energy: -7.036 local terms energy: -607.911440 where: bonds (distance) C4'-P energy: -113.497 bonds (distance) P-C4' energy: -105.157 flat angles C4'-P-C4' energy: -128.272 flat angles P-C4'-P energy: -94.386 tors. eta vs tors. theta energy: -166.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1716.348037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.348037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.348037 (E_RNA) where: Base-Base interactions energy: -1162.691 where: short stacking energy: -496.791 Base-Backbone interact. energy: 4.424 local terms energy: -558.081519 where: bonds (distance) C4'-P energy: -118.627 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -116.209 flat angles P-C4'-P energy: -74.214 tors. eta vs tors. theta energy: -135.034 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: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1562.834898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.834898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.834898 (E_RNA) where: Base-Base interactions energy: -1045.293 where: short stacking energy: -463.309 Base-Backbone interact. energy: -1.901 local terms energy: -515.641077 where: bonds (distance) C4'-P energy: -104.037 bonds (distance) P-C4' energy: -97.244 flat angles C4'-P-C4' energy: -118.712 flat angles P-C4'-P energy: -76.719 tors. eta vs tors. theta energy: -118.928 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1299.343980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.343980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.343980 (E_RNA) where: Base-Base interactions energy: -814.089 where: short stacking energy: -375.709 Base-Backbone interact. energy: 3.045 local terms energy: -488.300152 where: bonds (distance) C4'-P energy: -106.508 bonds (distance) P-C4' energy: -109.189 flat angles C4'-P-C4' energy: -130.423 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: -74.840 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: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1240.403269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.403269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.403269 (E_RNA) where: Base-Base interactions energy: -785.156 where: short stacking energy: -364.786 Base-Backbone interact. energy: 1.701 local terms energy: -456.947867 where: bonds (distance) C4'-P energy: -94.211 bonds (distance) P-C4' energy: -93.798 flat angles C4'-P-C4' energy: -110.100 flat angles P-C4'-P energy: -80.064 tors. eta vs tors. theta energy: -78.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -989.195414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.195414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.195414 (E_RNA) where: Base-Base interactions energy: -610.602 where: short stacking energy: -282.876 Base-Backbone interact. energy: -1.323 local terms energy: -377.270462 where: bonds (distance) C4'-P energy: -89.954 bonds (distance) P-C4' energy: -93.537 flat angles C4'-P-C4' energy: -92.635 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -45.391 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: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -861.981801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.981801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.981801 (E_RNA) where: Base-Base interactions energy: -474.991 where: short stacking energy: -258.413 Base-Backbone interact. energy: -0.594 local terms energy: -386.396969 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -110.915 flat angles P-C4'-P energy: -69.044 tors. eta vs tors. theta energy: -25.439 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: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -461.395532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.395532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.395532 (E_RNA) where: Base-Base interactions energy: -149.499 where: short stacking energy: -129.082 Base-Backbone interact. energy: -1.120 local terms energy: -310.777163 where: bonds (distance) C4'-P energy: -95.821 bonds (distance) P-C4' energy: -104.165 flat angles C4'-P-C4' energy: -67.126 flat angles P-C4'-P energy: -60.894 tors. eta vs tors. theta energy: 17.229 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: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2060.657024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.657024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.657024 (E_RNA) where: Base-Base interactions energy: -1437.281 where: short stacking energy: -600.338 Base-Backbone interact. energy: -0.918 local terms energy: -622.458399 where: bonds (distance) C4'-P energy: -108.455 bonds (distance) P-C4' energy: -128.166 flat angles C4'-P-C4' energy: -124.318 flat angles P-C4'-P energy: -87.467 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: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1868.185864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.185864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.185864 (E_RNA) where: Base-Base interactions energy: -1270.359 where: short stacking energy: -529.008 Base-Backbone interact. energy: 0.177 local terms energy: -598.003754 where: bonds (distance) C4'-P energy: -116.001 bonds (distance) P-C4' energy: -134.231 flat angles C4'-P-C4' energy: -125.996 flat angles P-C4'-P energy: -80.015 tors. eta vs tors. theta energy: -141.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1868.977556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.977556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.977556 (E_RNA) where: Base-Base interactions energy: -1263.862 where: short stacking energy: -535.884 Base-Backbone interact. energy: -2.421 local terms energy: -602.694768 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -111.754 flat angles C4'-P-C4' energy: -133.138 flat angles P-C4'-P energy: -81.562 tors. eta vs tors. theta energy: -154.327 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: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1697.646495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.646495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.646495 (E_RNA) where: Base-Base interactions energy: -1127.370 where: short stacking energy: -480.180 Base-Backbone interact. energy: -1.715 local terms energy: -568.560579 where: bonds (distance) C4'-P energy: -107.737 bonds (distance) P-C4' energy: -115.997 flat angles C4'-P-C4' energy: -129.349 flat angles P-C4'-P energy: -80.369 tors. eta vs tors. theta energy: -135.108 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: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1527.840322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.840322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.840322 (E_RNA) where: Base-Base interactions energy: -1030.008 where: short stacking energy: -426.569 Base-Backbone interact. energy: -0.533 local terms energy: -497.299863 where: bonds (distance) C4'-P energy: -93.203 bonds (distance) P-C4' energy: -103.585 flat angles C4'-P-C4' energy: -119.836 flat angles P-C4'-P energy: -73.386 tors. eta vs tors. theta energy: -107.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1336.816967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.816967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.816967 (E_RNA) where: Base-Base interactions energy: -864.465 where: short stacking energy: -360.595 Base-Backbone interact. energy: 1.276 local terms energy: -473.628120 where: bonds (distance) C4'-P energy: -96.476 bonds (distance) P-C4' energy: -109.349 flat angles C4'-P-C4' energy: -122.404 flat angles P-C4'-P energy: -70.755 tors. eta vs tors. theta energy: -74.645 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: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1236.509505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.509505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.509505 (E_RNA) where: Base-Base interactions energy: -764.041 where: short stacking energy: -334.919 Base-Backbone interact. energy: 0.092 local terms energy: -472.560153 where: bonds (distance) C4'-P energy: -98.952 bonds (distance) P-C4' energy: -124.939 flat angles C4'-P-C4' energy: -111.959 flat angles P-C4'-P energy: -75.128 tors. eta vs tors. theta energy: -61.582 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: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1029.253451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.253451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.253451 (E_RNA) where: Base-Base interactions energy: -624.938 where: short stacking energy: -303.366 Base-Backbone interact. energy: -1.881 local terms energy: -402.435104 where: bonds (distance) C4'-P energy: -86.865 bonds (distance) P-C4' energy: -113.011 flat angles C4'-P-C4' energy: -80.170 flat angles P-C4'-P energy: -69.280 tors. eta vs tors. theta energy: -53.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -842.561500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.561500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.561500 (E_RNA) where: Base-Base interactions energy: -481.356 where: short stacking energy: -250.823 Base-Backbone interact. energy: -0.567 local terms energy: -360.637957 where: bonds (distance) C4'-P energy: -74.623 bonds (distance) P-C4' energy: -95.069 flat angles C4'-P-C4' energy: -100.968 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -33.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -456.307329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.307329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.307329 (E_RNA) where: Base-Base interactions energy: -152.268 where: short stacking energy: -122.725 Base-Backbone interact. energy: 5.770 local terms energy: -309.808990 where: bonds (distance) C4'-P energy: -94.897 bonds (distance) P-C4' energy: -101.385 flat angles C4'-P-C4' energy: -69.833 flat angles P-C4'-P energy: -54.836 tors. eta vs tors. theta energy: 11.141 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: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2024.706239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.706239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.706239 (E_RNA) where: Base-Base interactions energy: -1385.835 where: short stacking energy: -584.594 Base-Backbone interact. energy: -1.904 local terms energy: -636.967078 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -116.946 flat angles C4'-P-C4' energy: -134.876 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -179.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1940.955983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.955983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.955983 (E_RNA) where: Base-Base interactions energy: -1317.359 where: short stacking energy: -583.319 Base-Backbone interact. energy: 0.516 local terms energy: -624.113166 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -123.995 flat angles C4'-P-C4' energy: -130.546 flat angles P-C4'-P energy: -75.209 tors. eta vs tors. theta energy: -175.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1851.207309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.207309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.207309 (E_RNA) where: Base-Base interactions energy: -1286.168 where: short stacking energy: -518.500 Base-Backbone interact. energy: -1.132 local terms energy: -563.906898 where: bonds (distance) C4'-P energy: -99.270 bonds (distance) P-C4' energy: -120.108 flat angles C4'-P-C4' energy: -123.059 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -145.507 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: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1692.100108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.100108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.100108 (E_RNA) where: Base-Base interactions energy: -1169.631 where: short stacking energy: -493.612 Base-Backbone interact. energy: -4.903 local terms energy: -517.565782 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -100.749 flat angles C4'-P-C4' energy: -120.028 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -122.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1616.063024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.063024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.063024 (E_RNA) where: Base-Base interactions energy: -1070.423 where: short stacking energy: -466.046 Base-Backbone interact. energy: -0.857 local terms energy: -544.782817 where: bonds (distance) C4'-P energy: -101.479 bonds (distance) P-C4' energy: -106.276 flat angles C4'-P-C4' energy: -115.564 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: -143.928 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: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1390.845106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.845106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.845106 (E_RNA) where: Base-Base interactions energy: -919.375 where: short stacking energy: -396.270 Base-Backbone interact. energy: -0.541 local terms energy: -470.929000 where: bonds (distance) C4'-P energy: -93.783 bonds (distance) P-C4' energy: -112.187 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -69.843 tors. eta vs tors. theta energy: -83.471 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1216.286629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.286629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.286629 (E_RNA) where: Base-Base interactions energy: -746.488 where: short stacking energy: -346.623 Base-Backbone interact. energy: -0.860 local terms energy: -468.938928 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -109.582 flat angles P-C4'-P energy: -71.693 tors. eta vs tors. theta energy: -79.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1022.738110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.738110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.738110 (E_RNA) where: Base-Base interactions energy: -594.231 where: short stacking energy: -290.893 Base-Backbone interact. energy: -3.152 local terms energy: -425.355421 where: bonds (distance) C4'-P energy: -96.891 bonds (distance) P-C4' energy: -107.799 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -53.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -956.369568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.369568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.369568 (E_RNA) where: Base-Base interactions energy: -604.392 where: short stacking energy: -274.430 Base-Backbone interact. energy: -2.260 local terms energy: -349.717538 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -88.046 flat angles C4'-P-C4' energy: -78.066 flat angles P-C4'-P energy: -52.188 tors. eta vs tors. theta energy: -41.043 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: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -465.285970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.285970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.285970 (E_RNA) where: Base-Base interactions energy: -192.290 where: short stacking energy: -135.664 Base-Backbone interact. energy: -1.684 local terms energy: -271.311682 where: bonds (distance) C4'-P energy: -97.468 bonds (distance) P-C4' energy: -102.725 flat angles C4'-P-C4' energy: -66.985 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: 37.406 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: 90 Temperature: 0.900000 Total energy: -2067.820123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.820123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.820123 (E_RNA) where: Base-Base interactions energy: -1433.201 where: short stacking energy: -610.339 Base-Backbone interact. energy: -4.458 local terms energy: -630.161654 where: bonds (distance) C4'-P energy: -99.058 bonds (distance) P-C4' energy: -117.207 flat angles C4'-P-C4' energy: -135.474 flat angles P-C4'-P energy: -97.202 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: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1943.316574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.316574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.316574 (E_RNA) where: Base-Base interactions energy: -1328.974 where: short stacking energy: -549.170 Base-Backbone interact. energy: -4.247 local terms energy: -610.096471 where: bonds (distance) C4'-P energy: -119.565 bonds (distance) P-C4' energy: -110.332 flat angles C4'-P-C4' energy: -125.460 flat angles P-C4'-P energy: -88.091 tors. eta vs tors. theta energy: -166.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1841.316911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.316911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.316911 (E_RNA) where: Base-Base interactions energy: -1262.361 where: short stacking energy: -536.777 Base-Backbone interact. energy: -1.153 local terms energy: -577.803282 where: bonds (distance) C4'-P energy: -107.073 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -122.345 flat angles P-C4'-P energy: -86.687 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: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1715.051004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.051004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.051004 (E_RNA) where: Base-Base interactions energy: -1143.782 where: short stacking energy: -503.482 Base-Backbone interact. energy: -0.487 local terms energy: -570.782492 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -116.648 flat angles C4'-P-C4' energy: -131.606 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -126.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1592.159525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.159525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.159525 (E_RNA) where: Base-Base interactions energy: -1058.616 where: short stacking energy: -448.294 Base-Backbone interact. energy: -1.989 local terms energy: -531.554853 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -117.867 flat angles C4'-P-C4' energy: -115.967 flat angles P-C4'-P energy: -71.850 tors. eta vs tors. theta energy: -133.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1404.668773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.668773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.668773 (E_RNA) where: Base-Base interactions energy: -916.892 where: short stacking energy: -402.462 Base-Backbone interact. energy: -0.529 local terms energy: -487.248218 where: bonds (distance) C4'-P energy: -111.836 bonds (distance) P-C4' energy: -99.773 flat angles C4'-P-C4' energy: -111.860 flat angles P-C4'-P energy: -69.410 tors. eta vs tors. theta energy: -94.369 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: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1192.259104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.259104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.259104 (E_RNA) where: Base-Base interactions energy: -783.092 where: short stacking energy: -347.019 Base-Backbone interact. energy: 2.268 local terms energy: -411.435008 where: bonds (distance) C4'-P energy: -85.923 bonds (distance) P-C4' energy: -112.063 flat angles C4'-P-C4' energy: -93.650 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -69.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -994.671337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.671337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.671337 (E_RNA) where: Base-Base interactions energy: -589.560 where: short stacking energy: -275.709 Base-Backbone interact. energy: -1.303 local terms energy: -403.808669 where: bonds (distance) C4'-P energy: -105.581 bonds (distance) P-C4' energy: -103.625 flat angles C4'-P-C4' energy: -107.620 flat angles P-C4'-P energy: -34.583 tors. eta vs tors. theta energy: -52.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -976.693430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.693430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.693430 (E_RNA) where: Base-Base interactions energy: -570.291 where: short stacking energy: -270.592 Base-Backbone interact. energy: -1.830 local terms energy: -404.572692 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -108.373 flat angles C4'-P-C4' energy: -96.567 flat angles P-C4'-P energy: -73.186 tors. eta vs tors. theta energy: -38.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -477.804063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.804063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.804063 (E_RNA) where: Base-Base interactions energy: -147.382 where: short stacking energy: -104.620 Base-Backbone interact. energy: 0.396 local terms energy: -330.818289 where: bonds (distance) C4'-P energy: -100.103 bonds (distance) P-C4' energy: -102.825 flat angles C4'-P-C4' energy: -81.519 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: 8.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2045.718530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.718530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.718530 (E_RNA) where: Base-Base interactions energy: -1394.770 where: short stacking energy: -594.392 Base-Backbone interact. energy: -2.629 local terms energy: -648.319834 where: bonds (distance) C4'-P energy: -121.506 bonds (distance) P-C4' energy: -123.170 flat angles C4'-P-C4' energy: -142.926 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -184.735 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: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1962.843698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.843698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.843698 (E_RNA) where: Base-Base interactions energy: -1318.928 where: short stacking energy: -579.003 Base-Backbone interact. energy: -4.603 local terms energy: -639.312518 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -133.513 flat angles C4'-P-C4' energy: -132.975 flat angles P-C4'-P energy: -91.025 tors. eta vs tors. theta energy: -164.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1808.644474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.644474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.644474 (E_RNA) where: Base-Base interactions energy: -1246.431 where: short stacking energy: -524.753 Base-Backbone interact. energy: -3.266 local terms energy: -558.947595 where: bonds (distance) C4'-P energy: -121.444 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -125.232 flat angles P-C4'-P energy: -69.596 tors. eta vs tors. theta energy: -146.177 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: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1737.884166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.884166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.884166 (E_RNA) where: Base-Base interactions energy: -1218.248 where: short stacking energy: -493.565 Base-Backbone interact. energy: -2.250 local terms energy: -517.386188 where: bonds (distance) C4'-P energy: -100.453 bonds (distance) P-C4' energy: -104.764 flat angles C4'-P-C4' energy: -118.112 flat angles P-C4'-P energy: -68.898 tors. eta vs tors. theta energy: -125.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1608.417292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.417292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.417292 (E_RNA) where: Base-Base interactions energy: -1079.437 where: short stacking energy: -469.480 Base-Backbone interact. energy: -3.715 local terms energy: -525.265205 where: bonds (distance) C4'-P energy: -111.334 bonds (distance) P-C4' energy: -105.901 flat angles C4'-P-C4' energy: -106.419 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -123.229 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: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1440.992526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.992526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.992526 (E_RNA) where: Base-Base interactions energy: -949.408 where: short stacking energy: -403.067 Base-Backbone interact. energy: 0.403 local terms energy: -491.987416 where: bonds (distance) C4'-P energy: -102.250 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -117.714 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: -108.292 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: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1213.253552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.253552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.253552 (E_RNA) where: Base-Base interactions energy: -789.794 where: short stacking energy: -347.392 Base-Backbone interact. energy: -5.057 local terms energy: -418.402429 where: bonds (distance) C4'-P energy: -88.316 bonds (distance) P-C4' energy: -109.052 flat angles C4'-P-C4' energy: -101.579 flat angles P-C4'-P energy: -68.086 tors. eta vs tors. theta energy: -51.370 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: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1098.059808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.059808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.059808 (E_RNA) where: Base-Base interactions energy: -700.120 where: short stacking energy: -299.305 Base-Backbone interact. energy: 1.864 local terms energy: -399.803664 where: bonds (distance) C4'-P energy: -72.313 bonds (distance) P-C4' energy: -90.091 flat angles C4'-P-C4' energy: -95.876 flat angles P-C4'-P energy: -87.260 tors. eta vs tors. theta energy: -54.264 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: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -900.752879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.752879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.752879 (E_RNA) where: Base-Base interactions energy: -518.257 where: short stacking energy: -240.158 Base-Backbone interact. energy: 0.929 local terms energy: -383.424343 where: bonds (distance) C4'-P energy: -88.190 bonds (distance) P-C4' energy: -108.088 flat angles C4'-P-C4' energy: -96.420 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: -37.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -514.057802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.057802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.057802 (E_RNA) where: Base-Base interactions energy: -208.000 where: short stacking energy: -161.938 Base-Backbone interact. energy: 5.378 local terms energy: -311.435728 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -100.385 flat angles C4'-P-C4' energy: -93.889 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: 8.311 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: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2048.190696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.190696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.190696 (E_RNA) where: Base-Base interactions energy: -1419.205 where: short stacking energy: -576.531 Base-Backbone interact. energy: -0.152 local terms energy: -628.832909 where: bonds (distance) C4'-P energy: -110.681 bonds (distance) P-C4' energy: -120.700 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -83.660 tors. eta vs tors. theta energy: -174.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1929.636326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.636326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.636326 (E_RNA) where: Base-Base interactions energy: -1317.472 where: short stacking energy: -556.574 Base-Backbone interact. energy: -1.945 local terms energy: -610.219798 where: bonds (distance) C4'-P energy: -110.993 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -132.323 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -159.111 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: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1850.060945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.060945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.060945 (E_RNA) where: Base-Base interactions energy: -1277.343 where: short stacking energy: -534.714 Base-Backbone interact. energy: -0.579 local terms energy: -572.138396 where: bonds (distance) C4'-P energy: -113.594 bonds (distance) P-C4' energy: -115.119 flat angles C4'-P-C4' energy: -129.501 flat angles P-C4'-P energy: -61.797 tors. eta vs tors. theta energy: -152.128 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: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1713.043609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.043609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.043609 (E_RNA) where: Base-Base interactions energy: -1162.943 where: short stacking energy: -514.516 Base-Backbone interact. energy: -1.901 local terms energy: -548.199714 where: bonds (distance) C4'-P energy: -110.323 bonds (distance) P-C4' energy: -99.747 flat angles C4'-P-C4' energy: -112.635 flat angles P-C4'-P energy: -75.967 tors. eta vs tors. theta energy: -149.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1630.476519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.476519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.476519 (E_RNA) where: Base-Base interactions energy: -1089.241 where: short stacking energy: -450.179 Base-Backbone interact. energy: -0.224 local terms energy: -541.011490 where: bonds (distance) C4'-P energy: -113.009 bonds (distance) P-C4' energy: -118.990 flat angles C4'-P-C4' energy: -106.612 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -128.744 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: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1482.670216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.670216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.670216 (E_RNA) where: Base-Base interactions energy: -987.595 where: short stacking energy: -428.742 Base-Backbone interact. energy: -0.459 local terms energy: -494.616403 where: bonds (distance) C4'-P energy: -108.859 bonds (distance) P-C4' energy: -102.629 flat angles C4'-P-C4' energy: -99.410 flat angles P-C4'-P energy: -75.679 tors. eta vs tors. theta energy: -108.038 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: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1262.669522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.669522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.669522 (E_RNA) where: Base-Base interactions energy: -809.871 where: short stacking energy: -355.210 Base-Backbone interact. energy: -1.516 local terms energy: -451.282031 where: bonds (distance) C4'-P energy: -117.147 bonds (distance) P-C4' energy: -94.858 flat angles C4'-P-C4' energy: -102.220 flat angles P-C4'-P energy: -60.036 tors. eta vs tors. theta energy: -77.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1213.654080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.654080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.654080 (E_RNA) where: Base-Base interactions energy: -778.649 where: short stacking energy: -315.563 Base-Backbone interact. energy: -2.804 local terms energy: -432.201381 where: bonds (distance) C4'-P energy: -96.845 bonds (distance) P-C4' energy: -93.293 flat angles C4'-P-C4' energy: -104.247 flat angles P-C4'-P energy: -71.848 tors. eta vs tors. theta energy: -65.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -906.073505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.073505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.073505 (E_RNA) where: Base-Base interactions energy: -546.038 where: short stacking energy: -271.689 Base-Backbone interact. energy: -0.759 local terms energy: -359.276216 where: bonds (distance) C4'-P energy: -90.006 bonds (distance) P-C4' energy: -113.482 flat angles C4'-P-C4' energy: -92.241 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: -19.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -446.228750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.228750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.228750 (E_RNA) where: Base-Base interactions energy: -173.650 where: short stacking energy: -128.252 Base-Backbone interact. energy: -3.241 local terms energy: -269.337886 where: bonds (distance) C4'-P energy: -76.310 bonds (distance) P-C4' energy: -95.024 flat angles C4'-P-C4' energy: -86.176 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: 30.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2059.367157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.367157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.367157 (E_RNA) where: Base-Base interactions energy: -1428.576 where: short stacking energy: -607.723 Base-Backbone interact. energy: 0.009 local terms energy: -630.800723 where: bonds (distance) C4'-P energy: -112.374 bonds (distance) P-C4' energy: -119.869 flat angles C4'-P-C4' energy: -139.019 flat angles P-C4'-P energy: -78.920 tors. eta vs tors. theta energy: -180.618 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: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1906.445762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.445762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.445762 (E_RNA) where: Base-Base interactions energy: -1311.411 where: short stacking energy: -553.692 Base-Backbone interact. energy: -4.900 local terms energy: -590.134955 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -127.649 flat angles P-C4'-P energy: -79.227 tors. eta vs tors. theta energy: -163.365 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: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1876.278743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.278743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.278743 (E_RNA) where: Base-Base interactions energy: -1315.110 where: short stacking energy: -525.011 Base-Backbone interact. energy: -3.613 local terms energy: -557.556218 where: bonds (distance) C4'-P energy: -119.110 bonds (distance) P-C4' energy: -96.137 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -77.734 tors. eta vs tors. theta energy: -140.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1714.196875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.196875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.196875 (E_RNA) where: Base-Base interactions energy: -1145.397 where: short stacking energy: -477.304 Base-Backbone interact. energy: -0.457 local terms energy: -568.342219 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -119.073 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -123.574 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: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1616.868815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.868815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.868815 (E_RNA) where: Base-Base interactions energy: -1096.334 where: short stacking energy: -481.521 Base-Backbone interact. energy: -2.126 local terms energy: -518.408763 where: bonds (distance) C4'-P energy: -105.773 bonds (distance) P-C4' energy: -108.174 flat angles C4'-P-C4' energy: -117.951 flat angles P-C4'-P energy: -65.645 tors. eta vs tors. theta energy: -120.866 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: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1433.694244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.694244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.694244 (E_RNA) where: Base-Base interactions energy: -970.119 where: short stacking energy: -412.893 Base-Backbone interact. energy: -2.623 local terms energy: -460.951810 where: bonds (distance) C4'-P energy: -102.663 bonds (distance) P-C4' energy: -98.243 flat angles C4'-P-C4' energy: -111.846 flat angles P-C4'-P energy: -51.387 tors. eta vs tors. theta energy: -96.812 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: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1271.742775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.742775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.742775 (E_RNA) where: Base-Base interactions energy: -852.195 where: short stacking energy: -361.653 Base-Backbone interact. energy: 0.823 local terms energy: -420.370425 where: bonds (distance) C4'-P energy: -95.128 bonds (distance) P-C4' energy: -83.764 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -66.383 tors. eta vs tors. theta energy: -68.688 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: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1145.654453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.654453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.654453 (E_RNA) where: Base-Base interactions energy: -753.532 where: short stacking energy: -325.015 Base-Backbone interact. energy: 0.373 local terms energy: -392.496169 where: bonds (distance) C4'-P energy: -79.110 bonds (distance) P-C4' energy: -99.199 flat angles C4'-P-C4' energy: -107.845 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -50.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -886.956839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.956839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.956839 (E_RNA) where: Base-Base interactions energy: -488.555 where: short stacking energy: -236.273 Base-Backbone interact. energy: -1.986 local terms energy: -396.416143 where: bonds (distance) C4'-P energy: -100.552 bonds (distance) P-C4' energy: -97.472 flat angles C4'-P-C4' energy: -103.051 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: -19.088 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: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -454.432305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.432305 (E_RNA) where: Base-Base interactions energy: -159.066 where: short stacking energy: -108.373 Base-Backbone interact. energy: 3.623 local terms energy: -298.989640 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -87.975 flat angles C4'-P-C4' energy: -102.591 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: 28.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2057.923400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.923400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.923400 (E_RNA) where: Base-Base interactions energy: -1408.057 where: short stacking energy: -585.514 Base-Backbone interact. energy: -4.190 local terms energy: -645.675558 where: bonds (distance) C4'-P energy: -115.558 bonds (distance) P-C4' energy: -127.765 flat angles C4'-P-C4' energy: -132.417 flat angles P-C4'-P energy: -86.761 tors. eta vs tors. theta energy: -183.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1918.015002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.015002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.015002 (E_RNA) where: Base-Base interactions energy: -1303.563 where: short stacking energy: -548.489 Base-Backbone interact. energy: 1.495 local terms energy: -615.946771 where: bonds (distance) C4'-P energy: -114.968 bonds (distance) P-C4' energy: -113.247 flat angles C4'-P-C4' energy: -133.818 flat angles P-C4'-P energy: -94.830 tors. eta vs tors. theta energy: -159.083 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: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1862.597225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.597225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.597225 (E_RNA) where: Base-Base interactions energy: -1273.625 where: short stacking energy: -509.707 Base-Backbone interact. energy: -2.631 local terms energy: -586.340808 where: bonds (distance) C4'-P energy: -116.599 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -120.331 flat angles P-C4'-P energy: -80.104 tors. eta vs tors. theta energy: -140.746 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: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1751.393124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.393124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.393124 (E_RNA) where: Base-Base interactions energy: -1207.338 where: short stacking energy: -511.431 Base-Backbone interact. energy: -2.419 local terms energy: -541.636537 where: bonds (distance) C4'-P energy: -95.365 bonds (distance) P-C4' energy: -108.721 flat angles C4'-P-C4' energy: -120.132 flat angles P-C4'-P energy: -81.942 tors. eta vs tors. theta energy: -135.476 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: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1625.700431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.700431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.700431 (E_RNA) where: Base-Base interactions energy: -1068.633 where: short stacking energy: -475.547 Base-Backbone interact. energy: -4.441 local terms energy: -552.626385 where: bonds (distance) C4'-P energy: -115.273 bonds (distance) P-C4' energy: -108.718 flat angles C4'-P-C4' energy: -123.425 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -131.221 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: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1423.324914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.324914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.324914 (E_RNA) where: Base-Base interactions energy: -950.038 where: short stacking energy: -397.458 Base-Backbone interact. energy: 4.097 local terms energy: -477.384067 where: bonds (distance) C4'-P energy: -105.753 bonds (distance) P-C4' energy: -100.110 flat angles C4'-P-C4' energy: -115.127 flat angles P-C4'-P energy: -57.552 tors. eta vs tors. theta energy: -98.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1210.235101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.235101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.235101 (E_RNA) where: Base-Base interactions energy: -769.752 where: short stacking energy: -344.887 Base-Backbone interact. energy: -1.414 local terms energy: -439.069042 where: bonds (distance) C4'-P energy: -108.387 bonds (distance) P-C4' energy: -95.470 flat angles C4'-P-C4' energy: -104.251 flat angles P-C4'-P energy: -59.815 tors. eta vs tors. theta energy: -71.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1230.298465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.298465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.298465 (E_RNA) where: Base-Base interactions energy: -784.449 where: short stacking energy: -359.659 Base-Backbone interact. energy: 3.878 local terms energy: -449.727331 where: bonds (distance) C4'-P energy: -92.841 bonds (distance) P-C4' energy: -97.190 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -63.136 tors. eta vs tors. theta energy: -81.063 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: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -991.440487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.440487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.440487 (E_RNA) where: Base-Base interactions energy: -605.072 where: short stacking energy: -305.927 Base-Backbone interact. energy: -1.105 local terms energy: -385.262736 where: bonds (distance) C4'-P energy: -82.484 bonds (distance) P-C4' energy: -107.699 flat angles C4'-P-C4' energy: -82.830 flat angles P-C4'-P energy: -59.766 tors. eta vs tors. theta energy: -52.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -504.491254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.491254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.491254 (E_RNA) where: Base-Base interactions energy: -188.132 where: short stacking energy: -151.107 Base-Backbone interact. energy: -2.028 local terms energy: -314.331274 where: bonds (distance) C4'-P energy: -89.666 bonds (distance) P-C4' energy: -105.495 flat angles C4'-P-C4' energy: -77.345 flat angles P-C4'-P energy: -63.269 tors. eta vs tors. theta energy: 21.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2061.495013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.495013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.495013 (E_RNA) where: Base-Base interactions energy: -1418.539 where: short stacking energy: -604.610 Base-Backbone interact. energy: -2.745 local terms energy: -640.211406 where: bonds (distance) C4'-P energy: -112.682 bonds (distance) P-C4' energy: -109.740 flat angles C4'-P-C4' energy: -140.527 flat angles P-C4'-P energy: -89.522 tors. eta vs tors. theta energy: -187.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1932.042820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.042820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.042820 (E_RNA) where: Base-Base interactions energy: -1310.055 where: short stacking energy: -556.479 Base-Backbone interact. energy: -1.375 local terms energy: -620.612412 where: bonds (distance) C4'-P energy: -125.136 bonds (distance) P-C4' energy: -120.788 flat angles C4'-P-C4' energy: -135.018 flat angles P-C4'-P energy: -74.000 tors. eta vs tors. theta energy: -165.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1863.386604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.386604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.386604 (E_RNA) where: Base-Base interactions energy: -1286.598 where: short stacking energy: -516.765 Base-Backbone interact. energy: -1.377 local terms energy: -575.411723 where: bonds (distance) C4'-P energy: -116.540 bonds (distance) P-C4' energy: -101.002 flat angles C4'-P-C4' energy: -131.036 flat angles P-C4'-P energy: -79.608 tors. eta vs tors. theta energy: -147.227 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: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1738.625556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.625556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.625556 (E_RNA) where: Base-Base interactions energy: -1207.593 where: short stacking energy: -508.255 Base-Backbone interact. energy: -3.252 local terms energy: -527.780768 where: bonds (distance) C4'-P energy: -93.645 bonds (distance) P-C4' energy: -110.813 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -118.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1615.500186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.500186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.500186 (E_RNA) where: Base-Base interactions energy: -1086.272 where: short stacking energy: -449.413 Base-Backbone interact. energy: -1.894 local terms energy: -527.334265 where: bonds (distance) C4'-P energy: -98.271 bonds (distance) P-C4' energy: -112.247 flat angles C4'-P-C4' energy: -106.854 flat angles P-C4'-P energy: -87.500 tors. eta vs tors. theta energy: -122.463 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: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1464.267182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.267182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.267182 (E_RNA) where: Base-Base interactions energy: -964.970 where: short stacking energy: -433.867 Base-Backbone interact. energy: -0.020 local terms energy: -499.277281 where: bonds (distance) C4'-P energy: -106.321 bonds (distance) P-C4' energy: -102.231 flat angles C4'-P-C4' energy: -111.219 flat angles P-C4'-P energy: -64.637 tors. eta vs tors. theta energy: -114.870 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: 95 Temperature: 1.200000 Total energy: -1212.254477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.254477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.254477 (E_RNA) where: Base-Base interactions energy: -780.865 where: short stacking energy: -337.165 Base-Backbone interact. energy: -3.033 local terms energy: -428.356645 where: bonds (distance) C4'-P energy: -110.713 bonds (distance) P-C4' energy: -97.700 flat angles C4'-P-C4' energy: -89.771 flat angles P-C4'-P energy: -56.488 tors. eta vs tors. theta energy: -73.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1225.049173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.049173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.049173 (E_RNA) where: Base-Base interactions energy: -757.757 where: short stacking energy: -349.765 Base-Backbone interact. energy: 0.020 local terms energy: -467.312726 where: bonds (distance) C4'-P energy: -117.072 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -101.248 flat angles P-C4'-P energy: -53.437 tors. eta vs tors. theta energy: -74.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -899.992380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.992380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.992380 (E_RNA) where: Base-Base interactions energy: -512.364 where: short stacking energy: -246.594 Base-Backbone interact. energy: -1.695 local terms energy: -385.933482 where: bonds (distance) C4'-P energy: -101.154 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -88.376 flat angles P-C4'-P energy: -57.457 tors. eta vs tors. theta energy: -46.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -481.071335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.071335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.071335 (E_RNA) where: Base-Base interactions energy: -175.563 where: short stacking energy: -141.015 Base-Backbone interact. energy: 3.015 local terms energy: -308.523382 where: bonds (distance) C4'-P energy: -104.968 bonds (distance) P-C4' energy: -85.369 flat angles C4'-P-C4' energy: -79.144 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: 8.576 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: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2064.083546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.083546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.083546 (E_RNA) where: Base-Base interactions energy: -1418.620 where: short stacking energy: -600.100 Base-Backbone interact. energy: -0.518 local terms energy: -644.944875 where: bonds (distance) C4'-P energy: -122.144 bonds (distance) P-C4' energy: -121.912 flat angles C4'-P-C4' energy: -136.104 flat angles P-C4'-P energy: -88.239 tors. eta vs tors. theta energy: -176.546 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1906.106652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.106652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.106652 (E_RNA) where: Base-Base interactions energy: -1291.149 where: short stacking energy: -542.958 Base-Backbone interact. energy: -4.830 local terms energy: -610.128446 where: bonds (distance) C4'-P energy: -108.384 bonds (distance) P-C4' energy: -116.523 flat angles C4'-P-C4' energy: -135.789 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -165.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1857.417604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.417604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.417604 (E_RNA) where: Base-Base interactions energy: -1270.190 where: short stacking energy: -562.734 Base-Backbone interact. energy: -1.469 local terms energy: -585.759124 where: bonds (distance) C4'-P energy: -123.626 bonds (distance) P-C4' energy: -125.023 flat angles C4'-P-C4' energy: -125.507 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: -152.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1717.606526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.606526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.606526 (E_RNA) where: Base-Base interactions energy: -1176.183 where: short stacking energy: -492.217 Base-Backbone interact. energy: -3.662 local terms energy: -537.761450 where: bonds (distance) C4'-P energy: -105.442 bonds (distance) P-C4' energy: -104.380 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -74.011 tors. eta vs tors. theta energy: -126.391 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: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1541.047549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.047549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.047549 (E_RNA) where: Base-Base interactions energy: -1019.363 where: short stacking energy: -435.667 Base-Backbone interact. energy: -2.790 local terms energy: -518.894563 where: bonds (distance) C4'-P energy: -101.136 bonds (distance) P-C4' energy: -118.513 flat angles C4'-P-C4' energy: -110.325 flat angles P-C4'-P energy: -76.148 tors. eta vs tors. theta energy: -112.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1552.600392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.600392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.600392 (E_RNA) where: Base-Base interactions energy: -1038.581 where: short stacking energy: -431.412 Base-Backbone interact. energy: -4.558 local terms energy: -509.460975 where: bonds (distance) C4'-P energy: -103.804 bonds (distance) P-C4' energy: -104.815 flat angles C4'-P-C4' energy: -114.215 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -118.153 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1204.471626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.471626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.471626 (E_RNA) where: Base-Base interactions energy: -762.074 where: short stacking energy: -359.707 Base-Backbone interact. energy: -1.944 local terms energy: -440.454401 where: bonds (distance) C4'-P energy: -103.678 bonds (distance) P-C4' energy: -109.219 flat angles C4'-P-C4' energy: -103.057 flat angles P-C4'-P energy: -68.041 tors. eta vs tors. theta energy: -56.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1258.622219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.622219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.622219 (E_RNA) where: Base-Base interactions energy: -806.037 where: short stacking energy: -388.930 Base-Backbone interact. energy: -1.369 local terms energy: -451.216493 where: bonds (distance) C4'-P energy: -100.399 bonds (distance) P-C4' energy: -99.543 flat angles C4'-P-C4' energy: -104.291 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -92.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -911.924648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.924648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.924648 (E_RNA) where: Base-Base interactions energy: -514.751 where: short stacking energy: -252.586 Base-Backbone interact. energy: -0.869 local terms energy: -396.304872 where: bonds (distance) C4'-P energy: -98.518 bonds (distance) P-C4' energy: -102.393 flat angles C4'-P-C4' energy: -96.076 flat angles P-C4'-P energy: -62.864 tors. eta vs tors. theta energy: -36.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -483.220929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.220929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.220929 (E_RNA) where: Base-Base interactions energy: -176.423 where: short stacking energy: -145.386 Base-Backbone interact. energy: 0.002 local terms energy: -306.799787 where: bonds (distance) C4'-P energy: -94.000 bonds (distance) P-C4' energy: -111.364 flat angles C4'-P-C4' energy: -76.695 flat angles P-C4'-P energy: -32.599 tors. eta vs tors. theta energy: 7.859 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: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2041.944300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.944300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.944300 (E_RNA) where: Base-Base interactions energy: -1413.423 where: short stacking energy: -590.351 Base-Backbone interact. energy: -1.377 local terms energy: -627.144337 where: bonds (distance) C4'-P energy: -117.096 bonds (distance) P-C4' energy: -117.204 flat angles C4'-P-C4' energy: -130.253 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -180.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1908.302149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.302149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.302149 (E_RNA) where: Base-Base interactions energy: -1304.266 where: short stacking energy: -569.157 Base-Backbone interact. energy: -4.201 local terms energy: -599.835348 where: bonds (distance) C4'-P energy: -118.647 bonds (distance) P-C4' energy: -113.357 flat angles C4'-P-C4' energy: -133.664 flat angles P-C4'-P energy: -70.959 tors. eta vs tors. theta energy: -163.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1803.550921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.550921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.550921 (E_RNA) where: Base-Base interactions energy: -1238.540 where: short stacking energy: -539.888 Base-Backbone interact. energy: -2.489 local terms energy: -562.522065 where: bonds (distance) C4'-P energy: -108.473 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -124.062 flat angles P-C4'-P energy: -78.056 tors. eta vs tors. theta energy: -146.561 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: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1731.150498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.150498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.150498 (E_RNA) where: Base-Base interactions energy: -1192.369 where: short stacking energy: -504.090 Base-Backbone interact. energy: -2.215 local terms energy: -536.566283 where: bonds (distance) C4'-P energy: -95.324 bonds (distance) P-C4' energy: -104.881 flat angles C4'-P-C4' energy: -106.203 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -148.215 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: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1559.678036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.678036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.678036 (E_RNA) where: Base-Base interactions energy: -1057.063 where: short stacking energy: -419.646 Base-Backbone interact. energy: -2.609 local terms energy: -500.005516 where: bonds (distance) C4'-P energy: -98.115 bonds (distance) P-C4' energy: -121.385 flat angles C4'-P-C4' energy: -106.033 flat angles P-C4'-P energy: -58.885 tors. eta vs tors. theta energy: -115.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1534.424390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.424390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.424390 (E_RNA) where: Base-Base interactions energy: -1030.553 where: short stacking energy: -430.974 Base-Backbone interact. energy: 0.373 local terms energy: -504.244766 where: bonds (distance) C4'-P energy: -94.968 bonds (distance) P-C4' energy: -98.111 flat angles C4'-P-C4' energy: -114.113 flat angles P-C4'-P energy: -76.060 tors. eta vs tors. theta energy: -120.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1185.272161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.272161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.272161 (E_RNA) where: Base-Base interactions energy: -744.537 where: short stacking energy: -337.760 Base-Backbone interact. energy: 6.309 local terms energy: -447.044055 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -106.227 flat angles C4'-P-C4' energy: -97.559 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -68.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1281.752003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.752003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.752003 (E_RNA) where: Base-Base interactions energy: -828.083 where: short stacking energy: -358.696 Base-Backbone interact. energy: 5.394 local terms energy: -459.062607 where: bonds (distance) C4'-P energy: -95.264 bonds (distance) P-C4' energy: -103.577 flat angles C4'-P-C4' energy: -106.273 flat angles P-C4'-P energy: -75.198 tors. eta vs tors. theta energy: -78.751 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: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -910.820740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.820740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.820740 (E_RNA) where: Base-Base interactions energy: -551.893 where: short stacking energy: -276.498 Base-Backbone interact. energy: -3.930 local terms energy: -354.996923 where: bonds (distance) C4'-P energy: -96.194 bonds (distance) P-C4' energy: -78.668 flat angles C4'-P-C4' energy: -89.782 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -41.201 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: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -501.845646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.845646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.845646 (E_RNA) where: Base-Base interactions energy: -202.131 where: short stacking energy: -184.633 Base-Backbone interact. energy: -2.306 local terms energy: -297.408606 where: bonds (distance) C4'-P energy: -91.281 bonds (distance) P-C4' energy: -102.189 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -30.373 tors. eta vs tors. theta energy: 0.823 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: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2036.669603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.669603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.669603 (E_RNA) where: Base-Base interactions energy: -1398.997 where: short stacking energy: -581.625 Base-Backbone interact. energy: -2.461 local terms energy: -635.212142 where: bonds (distance) C4'-P energy: -124.655 bonds (distance) P-C4' energy: -127.149 flat angles C4'-P-C4' energy: -127.395 flat angles P-C4'-P energy: -74.364 tors. eta vs tors. theta energy: -181.648 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: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1943.622327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.622327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.622327 (E_RNA) where: Base-Base interactions energy: -1307.154 where: short stacking energy: -561.212 Base-Backbone interact. energy: -4.316 local terms energy: -632.152329 where: bonds (distance) C4'-P energy: -107.997 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -141.336 flat angles P-C4'-P energy: -89.543 tors. eta vs tors. theta energy: -171.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1828.983960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.983960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.983960 (E_RNA) where: Base-Base interactions energy: -1234.043 where: short stacking energy: -544.948 Base-Backbone interact. energy: 0.252 local terms energy: -595.192653 where: bonds (distance) C4'-P energy: -110.016 bonds (distance) P-C4' energy: -115.378 flat angles C4'-P-C4' energy: -128.746 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: -162.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1761.739712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.739712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.739712 (E_RNA) where: Base-Base interactions energy: -1232.146 where: short stacking energy: -497.776 Base-Backbone interact. energy: -2.064 local terms energy: -527.529521 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -89.691 flat angles C4'-P-C4' energy: -116.824 flat angles P-C4'-P energy: -73.230 tors. eta vs tors. theta energy: -136.514 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: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1601.530657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.530657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.530657 (E_RNA) where: Base-Base interactions energy: -1079.232 where: short stacking energy: -446.852 Base-Backbone interact. energy: 1.762 local terms energy: -524.060449 where: bonds (distance) C4'-P energy: -106.959 bonds (distance) P-C4' energy: -101.118 flat angles C4'-P-C4' energy: -120.786 flat angles P-C4'-P energy: -78.829 tors. eta vs tors. theta energy: -116.368 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: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1579.782574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.782574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.782574 (E_RNA) where: Base-Base interactions energy: -1054.772 where: short stacking energy: -455.181 Base-Backbone interact. energy: -4.041 local terms energy: -520.969495 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -103.391 flat angles C4'-P-C4' energy: -115.150 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -134.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1300.413848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.413848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.413848 (E_RNA) where: Base-Base interactions energy: -813.939 where: short stacking energy: -359.417 Base-Backbone interact. energy: -1.590 local terms energy: -484.884545 where: bonds (distance) C4'-P energy: -97.903 bonds (distance) P-C4' energy: -101.637 flat angles C4'-P-C4' energy: -119.807 flat angles P-C4'-P energy: -70.827 tors. eta vs tors. theta energy: -94.710 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: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1231.219499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.219499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.219499 (E_RNA) where: Base-Base interactions energy: -784.765 where: short stacking energy: -340.778 Base-Backbone interact. energy: -0.826 local terms energy: -445.629058 where: bonds (distance) C4'-P energy: -97.866 bonds (distance) P-C4' energy: -107.641 flat angles C4'-P-C4' energy: -96.456 flat angles P-C4'-P energy: -67.377 tors. eta vs tors. theta energy: -76.289 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: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -885.786774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.786774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.786774 (E_RNA) where: Base-Base interactions energy: -518.440 where: short stacking energy: -247.034 Base-Backbone interact. energy: 5.114 local terms energy: -372.461241 where: bonds (distance) C4'-P energy: -107.212 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -105.959 flat angles P-C4'-P energy: -45.191 tors. eta vs tors. theta energy: -20.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -481.941597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.941597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.941597 (E_RNA) where: Base-Base interactions energy: -211.411 where: short stacking energy: -153.814 Base-Backbone interact. energy: -0.933 local terms energy: -269.597153 where: bonds (distance) C4'-P energy: -85.365 bonds (distance) P-C4' energy: -91.657 flat angles C4'-P-C4' energy: -91.863 flat angles P-C4'-P energy: -27.167 tors. eta vs tors. theta energy: 26.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2013.521035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.521035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.521035 (E_RNA) where: Base-Base interactions energy: -1372.427 where: short stacking energy: -580.117 Base-Backbone interact. energy: -2.513 local terms energy: -638.580990 where: bonds (distance) C4'-P energy: -126.409 bonds (distance) P-C4' energy: -121.493 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -79.909 tors. eta vs tors. theta energy: -179.596 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: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1950.731166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.731166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.731166 (E_RNA) where: Base-Base interactions energy: -1300.422 where: short stacking energy: -570.711 Base-Backbone interact. energy: -5.173 local terms energy: -645.136152 where: bonds (distance) C4'-P energy: -121.717 bonds (distance) P-C4' energy: -108.494 flat angles C4'-P-C4' energy: -132.620 flat angles P-C4'-P energy: -101.653 tors. eta vs tors. theta energy: -180.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1802.135076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.135076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.135076 (E_RNA) where: Base-Base interactions energy: -1218.442 where: short stacking energy: -519.885 Base-Backbone interact. energy: -1.715 local terms energy: -581.978462 where: bonds (distance) C4'-P energy: -119.732 bonds (distance) P-C4' energy: -108.464 flat angles C4'-P-C4' energy: -120.105 flat angles P-C4'-P energy: -81.135 tors. eta vs tors. theta energy: -152.543 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: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1782.501061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.501061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.501061 (E_RNA) where: Base-Base interactions energy: -1247.115 where: short stacking energy: -524.626 Base-Backbone interact. energy: 3.882 local terms energy: -539.268473 where: bonds (distance) C4'-P energy: -96.864 bonds (distance) P-C4' energy: -118.021 flat angles C4'-P-C4' energy: -105.034 flat angles P-C4'-P energy: -81.455 tors. eta vs tors. theta energy: -137.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1580.232887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.232887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.232887 (E_RNA) where: Base-Base interactions energy: -1060.701 where: short stacking energy: -477.995 Base-Backbone interact. energy: 2.572 local terms energy: -522.104092 where: bonds (distance) C4'-P energy: -96.705 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -118.231 flat angles P-C4'-P energy: -78.399 tors. eta vs tors. theta energy: -118.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1557.388416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.388416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.388416 (E_RNA) where: Base-Base interactions energy: -1064.657 where: short stacking energy: -445.528 Base-Backbone interact. energy: -1.715 local terms energy: -491.015671 where: bonds (distance) C4'-P energy: -78.343 bonds (distance) P-C4' energy: -110.623 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -66.364 tors. eta vs tors. theta energy: -123.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1327.710922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.710922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.710922 (E_RNA) where: Base-Base interactions energy: -864.228 where: short stacking energy: -382.074 Base-Backbone interact. energy: -5.826 local terms energy: -457.656845 where: bonds (distance) C4'-P energy: -84.729 bonds (distance) P-C4' energy: -112.664 flat angles C4'-P-C4' energy: -106.274 flat angles P-C4'-P energy: -71.040 tors. eta vs tors. theta energy: -82.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1248.933280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.933280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.933280 (E_RNA) where: Base-Base interactions energy: -806.716 where: short stacking energy: -351.263 Base-Backbone interact. energy: 0.339 local terms energy: -442.555648 where: bonds (distance) C4'-P energy: -85.605 bonds (distance) P-C4' energy: -108.364 flat angles C4'-P-C4' energy: -105.899 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: -76.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -912.879111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.879111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.879111 (E_RNA) where: Base-Base interactions energy: -507.309 where: short stacking energy: -249.340 Base-Backbone interact. energy: 5.076 local terms energy: -410.645633 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -113.502 flat angles C4'-P-C4' energy: -91.440 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -36.131 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: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -442.456639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.456639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.456639 (E_RNA) where: Base-Base interactions energy: -148.036 where: short stacking energy: -125.842 Base-Backbone interact. energy: -2.175 local terms energy: -292.245722 where: bonds (distance) C4'-P energy: -98.382 bonds (distance) P-C4' energy: -82.642 flat angles C4'-P-C4' energy: -83.811 flat angles P-C4'-P energy: -58.479 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: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2039.728342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.728342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.728342 (E_RNA) where: Base-Base interactions energy: -1410.384 where: short stacking energy: -588.433 Base-Backbone interact. energy: 2.784 local terms energy: -632.128514 where: bonds (distance) C4'-P energy: -107.635 bonds (distance) P-C4' energy: -126.268 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -79.536 tors. eta vs tors. theta energy: -182.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1925.485538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.485538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.485538 (E_RNA) where: Base-Base interactions energy: -1305.281 where: short stacking energy: -559.755 Base-Backbone interact. energy: -1.449 local terms energy: -618.755518 where: bonds (distance) C4'-P energy: -112.698 bonds (distance) P-C4' energy: -114.063 flat angles C4'-P-C4' energy: -140.092 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -167.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1766.476600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.476600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.476600 (E_RNA) where: Base-Base interactions energy: -1188.819 where: short stacking energy: -527.375 Base-Backbone interact. energy: -0.936 local terms energy: -576.721138 where: bonds (distance) C4'-P energy: -115.769 bonds (distance) P-C4' energy: -102.911 flat angles C4'-P-C4' energy: -129.724 flat angles P-C4'-P energy: -72.415 tors. eta vs tors. theta energy: -155.902 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: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1736.208571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.208571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.208571 (E_RNA) where: Base-Base interactions energy: -1183.965 where: short stacking energy: -492.971 Base-Backbone interact. energy: -3.051 local terms energy: -549.192917 where: bonds (distance) C4'-P energy: -110.823 bonds (distance) P-C4' energy: -110.767 flat angles C4'-P-C4' energy: -128.979 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -132.071 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: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1631.608953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.608953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.608953 (E_RNA) where: Base-Base interactions energy: -1077.914 where: short stacking energy: -473.983 Base-Backbone interact. energy: -3.405 local terms energy: -550.290289 where: bonds (distance) C4'-P energy: -105.926 bonds (distance) P-C4' energy: -118.661 flat angles C4'-P-C4' energy: -118.837 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -131.580 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: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1518.592049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.592049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.592049 (E_RNA) where: Base-Base interactions energy: -1007.216 where: short stacking energy: -419.929 Base-Backbone interact. energy: 0.236 local terms energy: -511.611633 where: bonds (distance) C4'-P energy: -102.181 bonds (distance) P-C4' energy: -115.289 flat angles C4'-P-C4' energy: -113.311 flat angles P-C4'-P energy: -68.331 tors. eta vs tors. theta energy: -112.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1323.826554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.826554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.826554 (E_RNA) where: Base-Base interactions energy: -873.543 where: short stacking energy: -394.309 Base-Backbone interact. energy: 5.237 local terms energy: -455.520466 where: bonds (distance) C4'-P energy: -84.528 bonds (distance) P-C4' energy: -108.742 flat angles C4'-P-C4' energy: -87.947 flat angles P-C4'-P energy: -81.286 tors. eta vs tors. theta energy: -93.017 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: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1216.365519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.365519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.365519 (E_RNA) where: Base-Base interactions energy: -777.796 where: short stacking energy: -340.386 Base-Backbone interact. energy: -1.730 local terms energy: -436.839572 where: bonds (distance) C4'-P energy: -105.766 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -104.090 flat angles P-C4'-P energy: -67.594 tors. eta vs tors. theta energy: -75.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -920.873834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.873834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.873834 (E_RNA) where: Base-Base interactions energy: -559.663 where: short stacking energy: -269.147 Base-Backbone interact. energy: -1.731 local terms energy: -359.479846 where: bonds (distance) C4'-P energy: -87.660 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -112.513 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -25.120 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: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -476.378089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.378089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.378089 (E_RNA) where: Base-Base interactions energy: -192.193 where: short stacking energy: -120.321 Base-Backbone interact. energy: -0.876 local terms energy: -283.309225 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -90.965 flat angles C4'-P-C4' energy: -72.401 flat angles P-C4'-P energy: -47.510 tors. eta vs tors. theta energy: 32.353 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: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2075.834881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.834881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.834881 (E_RNA) where: Base-Base interactions energy: -1434.508 where: short stacking energy: -609.190 Base-Backbone interact. energy: -3.612 local terms energy: -637.715210 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -120.839 flat angles C4'-P-C4' energy: -142.846 flat angles P-C4'-P energy: -84.997 tors. eta vs tors. theta energy: -174.766 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: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1941.354780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.354780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.354780 (E_RNA) where: Base-Base interactions energy: -1335.750 where: short stacking energy: -571.272 Base-Backbone interact. energy: -2.812 local terms energy: -602.793256 where: bonds (distance) C4'-P energy: -115.205 bonds (distance) P-C4' energy: -108.821 flat angles C4'-P-C4' energy: -125.208 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -169.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1803.983804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.983804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.983804 (E_RNA) where: Base-Base interactions energy: -1239.228 where: short stacking energy: -523.210 Base-Backbone interact. energy: -0.958 local terms energy: -563.796856 where: bonds (distance) C4'-P energy: -91.295 bonds (distance) P-C4' energy: -119.079 flat angles C4'-P-C4' energy: -130.240 flat angles P-C4'-P energy: -80.324 tors. eta vs tors. theta energy: -142.859 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: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1730.833422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.833422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.833422 (E_RNA) where: Base-Base interactions energy: -1181.652 where: short stacking energy: -491.021 Base-Backbone interact. energy: -2.965 local terms energy: -546.215878 where: bonds (distance) C4'-P energy: -106.752 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -120.334 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -129.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1630.117234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.117234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.117234 (E_RNA) where: Base-Base interactions energy: -1091.405 where: short stacking energy: -460.527 Base-Backbone interact. energy: -3.847 local terms energy: -534.865228 where: bonds (distance) C4'-P energy: -102.509 bonds (distance) P-C4' energy: -104.759 flat angles C4'-P-C4' energy: -116.323 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -127.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1514.558838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.558838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.558838 (E_RNA) where: Base-Base interactions energy: -1035.477 where: short stacking energy: -430.056 Base-Backbone interact. energy: -3.234 local terms energy: -475.847632 where: bonds (distance) C4'-P energy: -98.871 bonds (distance) P-C4' energy: -99.931 flat angles C4'-P-C4' energy: -104.095 flat angles P-C4'-P energy: -56.827 tors. eta vs tors. theta energy: -116.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1313.226284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.226284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.226284 (E_RNA) where: Base-Base interactions energy: -824.875 where: short stacking energy: -378.902 Base-Backbone interact. energy: -1.391 local terms energy: -486.959830 where: bonds (distance) C4'-P energy: -100.716 bonds (distance) P-C4' energy: -108.398 flat angles C4'-P-C4' energy: -109.174 flat angles P-C4'-P energy: -71.455 tors. eta vs tors. theta energy: -97.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1157.438410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.438410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.438410 (E_RNA) where: Base-Base interactions energy: -731.000 where: short stacking energy: -334.371 Base-Backbone interact. energy: 4.243 local terms energy: -430.680623 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -95.152 flat angles C4'-P-C4' energy: -106.980 flat angles P-C4'-P energy: -72.649 tors. eta vs tors. theta energy: -68.926 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: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -912.629126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.629126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.629126 (E_RNA) where: Base-Base interactions energy: -535.219 where: short stacking energy: -264.715 Base-Backbone interact. energy: -0.598 local terms energy: -376.812543 where: bonds (distance) C4'-P energy: -81.160 bonds (distance) P-C4' energy: -113.999 flat angles C4'-P-C4' energy: -98.433 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -35.936 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: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -530.175081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.175081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.175081 (E_RNA) where: Base-Base interactions energy: -217.692 where: short stacking energy: -157.945 Base-Backbone interact. energy: 3.813 local terms energy: -316.295852 where: bonds (distance) C4'-P energy: -94.561 bonds (distance) P-C4' energy: -103.313 flat angles C4'-P-C4' energy: -81.249 flat angles P-C4'-P energy: -45.216 tors. eta vs tors. theta energy: 8.043 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: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2061.415448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.415448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.415448 (E_RNA) where: Base-Base interactions energy: -1432.989 where: short stacking energy: -613.677 Base-Backbone interact. energy: -1.274 local terms energy: -627.152605 where: bonds (distance) C4'-P energy: -115.884 bonds (distance) P-C4' energy: -120.043 flat angles C4'-P-C4' energy: -130.008 flat angles P-C4'-P energy: -87.460 tors. eta vs tors. theta energy: -173.757 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: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1950.912991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.912991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.912991 (E_RNA) where: Base-Base interactions energy: -1309.873 where: short stacking energy: -560.303 Base-Backbone interact. energy: -5.581 local terms energy: -635.459328 where: bonds (distance) C4'-P energy: -124.857 bonds (distance) P-C4' energy: -104.833 flat angles C4'-P-C4' energy: -139.473 flat angles P-C4'-P energy: -94.360 tors. eta vs tors. theta energy: -171.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1776.632374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.632374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.632374 (E_RNA) where: Base-Base interactions energy: -1205.453 where: short stacking energy: -521.330 Base-Backbone interact. energy: -4.946 local terms energy: -566.232773 where: bonds (distance) C4'-P energy: -119.709 bonds (distance) P-C4' energy: -112.370 flat angles C4'-P-C4' energy: -125.237 flat angles P-C4'-P energy: -74.476 tors. eta vs tors. theta energy: -134.441 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: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1725.209011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.209011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.209011 (E_RNA) where: Base-Base interactions energy: -1165.199 where: short stacking energy: -507.735 Base-Backbone interact. energy: 0.845 local terms energy: -560.854386 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -109.241 flat angles C4'-P-C4' energy: -122.196 flat angles P-C4'-P energy: -83.568 tors. eta vs tors. theta energy: -146.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1588.089162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.089162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.089162 (E_RNA) where: Base-Base interactions energy: -1068.249 where: short stacking energy: -437.522 Base-Backbone interact. energy: 0.229 local terms energy: -520.069668 where: bonds (distance) C4'-P energy: -112.844 bonds (distance) P-C4' energy: -107.923 flat angles C4'-P-C4' energy: -111.242 flat angles P-C4'-P energy: -77.885 tors. eta vs tors. theta energy: -110.177 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: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1452.432424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.432424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.432424 (E_RNA) where: Base-Base interactions energy: -974.325 where: short stacking energy: -426.347 Base-Backbone interact. energy: -0.301 local terms energy: -477.806374 where: bonds (distance) C4'-P energy: -85.168 bonds (distance) P-C4' energy: -105.411 flat angles C4'-P-C4' energy: -117.125 flat angles P-C4'-P energy: -60.300 tors. eta vs tors. theta energy: -109.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1318.674533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.674533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.674533 (E_RNA) where: Base-Base interactions energy: -835.230 where: short stacking energy: -397.108 Base-Backbone interact. energy: 6.849 local terms energy: -490.293561 where: bonds (distance) C4'-P energy: -126.234 bonds (distance) P-C4' energy: -104.209 flat angles C4'-P-C4' energy: -101.563 flat angles P-C4'-P energy: -65.631 tors. eta vs tors. theta energy: -92.656 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: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1092.969273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.969273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.969273 (E_RNA) where: Base-Base interactions energy: -703.176 where: short stacking energy: -317.407 Base-Backbone interact. energy: 6.719 local terms energy: -396.512615 where: bonds (distance) C4'-P energy: -93.915 bonds (distance) P-C4' energy: -98.475 flat angles C4'-P-C4' energy: -97.856 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: -55.636 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: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -886.227853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.227853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.227853 (E_RNA) where: Base-Base interactions energy: -495.887 where: short stacking energy: -246.745 Base-Backbone interact. energy: -1.017 local terms energy: -389.323393 where: bonds (distance) C4'-P energy: -92.944 bonds (distance) P-C4' energy: -94.048 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -74.059 tors. eta vs tors. theta energy: -37.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -533.101980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.101980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.101980 (E_RNA) where: Base-Base interactions energy: -236.691 where: short stacking energy: -145.358 Base-Backbone interact. energy: 0.278 local terms energy: -296.689163 where: bonds (distance) C4'-P energy: -99.952 bonds (distance) P-C4' energy: -110.286 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: 21.734 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: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2075.745871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.745871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.745871 (E_RNA) where: Base-Base interactions energy: -1423.388 where: short stacking energy: -577.372 Base-Backbone interact. energy: -3.809 local terms energy: -648.548834 where: bonds (distance) C4'-P energy: -120.242 bonds (distance) P-C4' energy: -130.370 flat angles C4'-P-C4' energy: -133.023 flat angles P-C4'-P energy: -95.191 tors. eta vs tors. theta energy: -169.722 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: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1967.209895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.209895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.209895 (E_RNA) where: Base-Base interactions energy: -1346.433 where: short stacking energy: -564.478 Base-Backbone interact. energy: -2.577 local terms energy: -618.200474 where: bonds (distance) C4'-P energy: -116.252 bonds (distance) P-C4' energy: -109.456 flat angles C4'-P-C4' energy: -128.399 flat angles P-C4'-P energy: -93.309 tors. eta vs tors. theta energy: -170.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1746.974676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.974676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.974676 (E_RNA) where: Base-Base interactions energy: -1187.258 where: short stacking energy: -524.836 Base-Backbone interact. energy: -1.422 local terms energy: -558.294044 where: bonds (distance) C4'-P energy: -110.667 bonds (distance) P-C4' energy: -118.917 flat angles C4'-P-C4' energy: -120.354 flat angles P-C4'-P energy: -76.286 tors. eta vs tors. theta energy: -132.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1711.418995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.418995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.418995 (E_RNA) where: Base-Base interactions energy: -1156.452 where: short stacking energy: -507.593 Base-Backbone interact. energy: -2.767 local terms energy: -552.200831 where: bonds (distance) C4'-P energy: -103.081 bonds (distance) P-C4' energy: -99.842 flat angles C4'-P-C4' energy: -126.994 flat angles P-C4'-P energy: -85.796 tors. eta vs tors. theta energy: -136.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1583.113630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.113630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.113630 (E_RNA) where: Base-Base interactions energy: -1064.959 where: short stacking energy: -466.879 Base-Backbone interact. energy: -3.037 local terms energy: -515.118224 where: bonds (distance) C4'-P energy: -87.978 bonds (distance) P-C4' energy: -117.186 flat angles C4'-P-C4' energy: -114.601 flat angles P-C4'-P energy: -69.602 tors. eta vs tors. theta energy: -125.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1390.592847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.592847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.592847 (E_RNA) where: Base-Base interactions energy: -903.798 where: short stacking energy: -387.708 Base-Backbone interact. energy: -1.884 local terms energy: -484.911270 where: bonds (distance) C4'-P energy: -84.326 bonds (distance) P-C4' energy: -120.000 flat angles C4'-P-C4' energy: -103.227 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -93.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1393.309212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.309212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.309212 (E_RNA) where: Base-Base interactions energy: -922.082 where: short stacking energy: -371.893 Base-Backbone interact. energy: -1.008 local terms energy: -470.219041 where: bonds (distance) C4'-P energy: -82.907 bonds (distance) P-C4' energy: -105.640 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -64.704 tors. eta vs tors. theta energy: -106.017 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: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1069.871641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.871641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.871641 (E_RNA) where: Base-Base interactions energy: -673.026 where: short stacking energy: -296.490 Base-Backbone interact. energy: -2.974 local terms energy: -393.871952 where: bonds (distance) C4'-P energy: -80.311 bonds (distance) P-C4' energy: -100.282 flat angles C4'-P-C4' energy: -107.219 flat angles P-C4'-P energy: -62.285 tors. eta vs tors. theta energy: -43.775 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: 1 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -900.098981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.098981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.098981 (E_RNA) where: Base-Base interactions energy: -547.822 where: short stacking energy: -276.706 Base-Backbone interact. energy: 4.742 local terms energy: -357.018443 where: bonds (distance) C4'-P energy: -78.293 bonds (distance) P-C4' energy: -88.879 flat angles C4'-P-C4' energy: -96.803 flat angles P-C4'-P energy: -63.578 tors. eta vs tors. theta energy: -29.466 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: 10, replica: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -536.343637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.343637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.343637 (E_RNA) where: Base-Base interactions energy: -236.570 where: short stacking energy: -142.828 Base-Backbone interact. energy: -1.274 local terms energy: -298.499993 where: bonds (distance) C4'-P energy: -86.692 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: 9.985 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: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2045.857734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.857734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.857734 (E_RNA) where: Base-Base interactions energy: -1418.317 where: short stacking energy: -578.858 Base-Backbone interact. energy: -3.995 local terms energy: -623.545548 where: bonds (distance) C4'-P energy: -112.346 bonds (distance) P-C4' energy: -119.683 flat angles C4'-P-C4' energy: -131.793 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: -173.140 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: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1988.016419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.016419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.016419 (E_RNA) where: Base-Base interactions energy: -1363.473 where: short stacking energy: -564.626 Base-Backbone interact. energy: -2.964 local terms energy: -621.579522 where: bonds (distance) C4'-P energy: -106.226 bonds (distance) P-C4' energy: -115.301 flat angles C4'-P-C4' energy: -135.306 flat angles P-C4'-P energy: -93.175 tors. eta vs tors. theta energy: -171.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1774.783849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.783849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.783849 (E_RNA) where: Base-Base interactions energy: -1211.311 where: short stacking energy: -499.257 Base-Backbone interact. energy: -1.767 local terms energy: -561.705921 where: bonds (distance) C4'-P energy: -110.003 bonds (distance) P-C4' energy: -120.081 flat angles C4'-P-C4' energy: -118.077 flat angles P-C4'-P energy: -84.458 tors. eta vs tors. theta energy: -129.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1684.160002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.160002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.160002 (E_RNA) where: Base-Base interactions energy: -1126.559 where: short stacking energy: -483.598 Base-Backbone interact. energy: -2.209 local terms energy: -555.391550 where: bonds (distance) C4'-P energy: -111.632 bonds (distance) P-C4' energy: -103.871 flat angles C4'-P-C4' energy: -120.264 flat angles P-C4'-P energy: -92.264 tors. eta vs tors. theta energy: -127.361 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: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1592.823478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.823478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.823478 (E_RNA) where: Base-Base interactions energy: -1048.987 where: short stacking energy: -459.261 Base-Backbone interact. energy: -1.114 local terms energy: -542.722151 where: bonds (distance) C4'-P energy: -91.099 bonds (distance) P-C4' energy: -121.163 flat angles C4'-P-C4' energy: -125.280 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -127.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1357.415545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.415545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.415545 (E_RNA) where: Base-Base interactions energy: -893.186 where: short stacking energy: -383.348 Base-Backbone interact. energy: 2.328 local terms energy: -466.557839 where: bonds (distance) C4'-P energy: -107.128 bonds (distance) P-C4' energy: -105.406 flat angles C4'-P-C4' energy: -96.278 flat angles P-C4'-P energy: -80.318 tors. eta vs tors. theta energy: -77.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1418.088304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.088304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.088304 (E_RNA) where: Base-Base interactions energy: -949.244 where: short stacking energy: -410.361 Base-Backbone interact. energy: -0.049 local terms energy: -468.794630 where: bonds (distance) C4'-P energy: -83.439 bonds (distance) P-C4' energy: -110.648 flat angles C4'-P-C4' energy: -107.449 flat angles P-C4'-P energy: -61.173 tors. eta vs tors. theta energy: -106.085 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: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -993.196465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.196465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.196465 (E_RNA) where: Base-Base interactions energy: -598.645 where: short stacking energy: -311.457 Base-Backbone interact. energy: 2.382 local terms energy: -396.933215 where: bonds (distance) C4'-P energy: -95.591 bonds (distance) P-C4' energy: -98.623 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -48.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -847.731396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.731396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.731396 (E_RNA) where: Base-Base interactions energy: -490.379 where: short stacking energy: -245.451 Base-Backbone interact. energy: 2.956 local terms energy: -360.308895 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -104.367 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -19.816 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: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -544.999129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.999129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.999129 (E_RNA) where: Base-Base interactions energy: -253.945 where: short stacking energy: -177.309 Base-Backbone interact. energy: -2.611 local terms energy: -288.442985 where: bonds (distance) C4'-P energy: -88.912 bonds (distance) P-C4' energy: -100.415 flat angles C4'-P-C4' energy: -67.794 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: 10.019 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: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2096.999440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.999440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.999440 (E_RNA) where: Base-Base interactions energy: -1451.919 where: short stacking energy: -590.642 Base-Backbone interact. energy: -3.240 local terms energy: -641.840110 where: bonds (distance) C4'-P energy: -122.472 bonds (distance) P-C4' energy: -129.852 flat angles C4'-P-C4' energy: -138.516 flat angles P-C4'-P energy: -78.576 tors. eta vs tors. theta energy: -172.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1975.401103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.401103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.401103 (E_RNA) where: Base-Base interactions energy: -1324.072 where: short stacking energy: -563.122 Base-Backbone interact. energy: -1.174 local terms energy: -650.155478 where: bonds (distance) C4'-P energy: -109.724 bonds (distance) P-C4' energy: -120.459 flat angles C4'-P-C4' energy: -141.590 flat angles P-C4'-P energy: -99.946 tors. eta vs tors. theta energy: -178.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1803.510848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.510848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.510848 (E_RNA) where: Base-Base interactions energy: -1209.627 where: short stacking energy: -526.254 Base-Backbone interact. energy: -1.342 local terms energy: -592.541036 where: bonds (distance) C4'-P energy: -106.280 bonds (distance) P-C4' energy: -124.926 flat angles C4'-P-C4' energy: -122.431 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -145.558 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: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1698.565126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.565126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.565126 (E_RNA) where: Base-Base interactions energy: -1151.409 where: short stacking energy: -497.479 Base-Backbone interact. energy: -3.320 local terms energy: -543.836782 where: bonds (distance) C4'-P energy: -112.741 bonds (distance) P-C4' energy: -108.429 flat angles C4'-P-C4' energy: -117.315 flat angles P-C4'-P energy: -78.307 tors. eta vs tors. theta energy: -127.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1556.453206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.453206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.453206 (E_RNA) where: Base-Base interactions energy: -1027.038 where: short stacking energy: -493.589 Base-Backbone interact. energy: 1.709 local terms energy: -531.124272 where: bonds (distance) C4'-P energy: -104.379 bonds (distance) P-C4' energy: -91.745 flat angles C4'-P-C4' energy: -118.928 flat angles P-C4'-P energy: -70.265 tors. eta vs tors. theta energy: -145.808 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: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1429.921430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.921430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.921430 (E_RNA) where: Base-Base interactions energy: -915.361 where: short stacking energy: -409.263 Base-Backbone interact. energy: -3.237 local terms energy: -511.322998 where: bonds (distance) C4'-P energy: -97.760 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -111.856 flat angles P-C4'-P energy: -85.413 tors. eta vs tors. theta energy: -110.209 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1316.761112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.761112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.761112 (E_RNA) where: Base-Base interactions energy: -856.428 where: short stacking energy: -380.294 Base-Backbone interact. energy: -1.198 local terms energy: -459.135239 where: bonds (distance) C4'-P energy: -79.059 bonds (distance) P-C4' energy: -103.217 flat angles C4'-P-C4' energy: -94.661 flat angles P-C4'-P energy: -79.403 tors. eta vs tors. theta energy: -102.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1064.832536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.832536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.832536 (E_RNA) where: Base-Base interactions energy: -637.202 where: short stacking energy: -293.579 Base-Backbone interact. energy: -0.497 local terms energy: -427.133644 where: bonds (distance) C4'-P energy: -110.552 bonds (distance) P-C4' energy: -101.025 flat angles C4'-P-C4' energy: -101.234 flat angles P-C4'-P energy: -55.545 tors. eta vs tors. theta energy: -58.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -898.272764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.272764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.272764 (E_RNA) where: Base-Base interactions energy: -489.758 where: short stacking energy: -255.427 Base-Backbone interact. energy: 2.324 local terms energy: -410.838513 where: bonds (distance) C4'-P energy: -101.978 bonds (distance) P-C4' energy: -103.336 flat angles C4'-P-C4' energy: -85.131 flat angles P-C4'-P energy: -79.612 tors. eta vs tors. theta energy: -40.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -595.307186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.307186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.307186 (E_RNA) where: Base-Base interactions energy: -283.259 where: short stacking energy: -161.214 Base-Backbone interact. energy: -0.984 local terms energy: -311.064587 where: bonds (distance) C4'-P energy: -107.100 bonds (distance) P-C4' energy: -96.070 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: 13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2075.824801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.824801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.824801 (E_RNA) where: Base-Base interactions energy: -1438.687 where: short stacking energy: -588.071 Base-Backbone interact. energy: -3.685 local terms energy: -633.452985 where: bonds (distance) C4'-P energy: -123.923 bonds (distance) P-C4' energy: -115.980 flat angles C4'-P-C4' energy: -125.474 flat angles P-C4'-P energy: -89.545 tors. eta vs tors. theta energy: -178.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1976.707396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.707396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.707396 (E_RNA) where: Base-Base interactions energy: -1350.965 where: short stacking energy: -572.149 Base-Backbone interact. energy: -1.665 local terms energy: -624.077882 where: bonds (distance) C4'-P energy: -113.973 bonds (distance) P-C4' energy: -114.195 flat angles C4'-P-C4' energy: -132.257 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -178.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1801.371526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.371526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.371526 (E_RNA) where: Base-Base interactions energy: -1234.116 where: short stacking energy: -521.627 Base-Backbone interact. energy: -1.002 local terms energy: -566.254336 where: bonds (distance) C4'-P energy: -94.258 bonds (distance) P-C4' energy: -101.792 flat angles C4'-P-C4' energy: -139.413 flat angles P-C4'-P energy: -78.371 tors. eta vs tors. theta energy: -152.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1718.224095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.224095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.224095 (E_RNA) where: Base-Base interactions energy: -1148.410 where: short stacking energy: -489.464 Base-Backbone interact. energy: -1.516 local terms energy: -568.297653 where: bonds (distance) C4'-P energy: -114.035 bonds (distance) P-C4' energy: -105.637 flat angles C4'-P-C4' energy: -132.250 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: -137.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1550.110091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.110091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.110091 (E_RNA) where: Base-Base interactions energy: -1017.609 where: short stacking energy: -448.959 Base-Backbone interact. energy: -3.166 local terms energy: -529.335596 where: bonds (distance) C4'-P energy: -107.870 bonds (distance) P-C4' energy: -116.707 flat angles C4'-P-C4' energy: -120.384 flat angles P-C4'-P energy: -70.598 tors. eta vs tors. theta energy: -113.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1372.087380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.087380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.087380 (E_RNA) where: Base-Base interactions energy: -904.810 where: short stacking energy: -394.854 Base-Backbone interact. energy: 3.337 local terms energy: -470.614003 where: bonds (distance) C4'-P energy: -104.837 bonds (distance) P-C4' energy: -118.227 flat angles C4'-P-C4' energy: -111.106 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -82.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1315.762040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.762040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.762040 (E_RNA) where: Base-Base interactions energy: -874.915 where: short stacking energy: -404.739 Base-Backbone interact. energy: 3.865 local terms energy: -444.712218 where: bonds (distance) C4'-P energy: -93.759 bonds (distance) P-C4' energy: -99.436 flat angles C4'-P-C4' energy: -94.162 flat angles P-C4'-P energy: -54.807 tors. eta vs tors. theta energy: -102.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1060.656671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.656671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.656671 (E_RNA) where: Base-Base interactions energy: -619.522 where: short stacking energy: -309.082 Base-Backbone interact. energy: 0.416 local terms energy: -441.550941 where: bonds (distance) C4'-P energy: -98.805 bonds (distance) P-C4' energy: -97.390 flat angles C4'-P-C4' energy: -98.646 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: -81.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -899.658374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.658374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.658374 (E_RNA) where: Base-Base interactions energy: -533.544 where: short stacking energy: -257.998 Base-Backbone interact. energy: -1.648 local terms energy: -364.466017 where: bonds (distance) C4'-P energy: -82.464 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -98.079 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: -32.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -574.469916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.469916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.469916 (E_RNA) where: Base-Base interactions energy: -281.797 where: short stacking energy: -144.966 Base-Backbone interact. energy: -1.489 local terms energy: -291.183683 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -98.816 flat angles C4'-P-C4' energy: -81.084 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: 7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2042.098333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.098333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.098333 (E_RNA) where: Base-Base interactions energy: -1408.626 where: short stacking energy: -580.288 Base-Backbone interact. energy: 0.279 local terms energy: -633.752163 where: bonds (distance) C4'-P energy: -113.713 bonds (distance) P-C4' energy: -122.251 flat angles C4'-P-C4' energy: -132.601 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -171.341 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: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1981.390769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.390769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.390769 (E_RNA) where: Base-Base interactions energy: -1366.318 where: short stacking energy: -578.069 Base-Backbone interact. energy: -2.548 local terms energy: -612.524870 where: bonds (distance) C4'-P energy: -116.480 bonds (distance) P-C4' energy: -113.430 flat angles C4'-P-C4' energy: -126.928 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -183.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1790.841224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.841224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.841224 (E_RNA) where: Base-Base interactions energy: -1198.761 where: short stacking energy: -504.889 Base-Backbone interact. energy: -2.186 local terms energy: -589.894469 where: bonds (distance) C4'-P energy: -114.193 bonds (distance) P-C4' energy: -121.843 flat angles C4'-P-C4' energy: -114.846 flat angles P-C4'-P energy: -96.957 tors. eta vs tors. theta energy: -142.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1743.260603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.260603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.260603 (E_RNA) where: Base-Base interactions energy: -1152.025 where: short stacking energy: -488.948 Base-Backbone interact. energy: -2.721 local terms energy: -588.515088 where: bonds (distance) C4'-P energy: -119.375 bonds (distance) P-C4' energy: -130.307 flat angles C4'-P-C4' energy: -125.079 flat angles P-C4'-P energy: -73.427 tors. eta vs tors. theta energy: -140.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1562.552886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.552886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.552886 (E_RNA) where: Base-Base interactions energy: -1023.860 where: short stacking energy: -455.822 Base-Backbone interact. energy: -1.155 local terms energy: -537.537758 where: bonds (distance) C4'-P energy: -101.880 bonds (distance) P-C4' energy: -122.361 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -122.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1401.551359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.551359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.551359 (E_RNA) where: Base-Base interactions energy: -933.223 where: short stacking energy: -398.247 Base-Backbone interact. energy: -4.140 local terms energy: -464.188754 where: bonds (distance) C4'-P energy: -95.043 bonds (distance) P-C4' energy: -119.731 flat angles C4'-P-C4' energy: -87.822 flat angles P-C4'-P energy: -79.096 tors. eta vs tors. theta energy: -82.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1231.146203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.146203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.146203 (E_RNA) where: Base-Base interactions energy: -782.759 where: short stacking energy: -355.303 Base-Backbone interact. energy: -2.311 local terms energy: -446.076071 where: bonds (distance) C4'-P energy: -91.066 bonds (distance) P-C4' energy: -114.130 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -86.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1011.276177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.276177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.276177 (E_RNA) where: Base-Base interactions energy: -620.924 where: short stacking energy: -298.921 Base-Backbone interact. energy: -0.269 local terms energy: -390.083081 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -56.471 tors. eta vs tors. theta energy: -42.217 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: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -854.711852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.711852 (E_RNA) where: Base-Base interactions energy: -479.848 where: short stacking energy: -258.359 Base-Backbone interact. energy: 8.458 local terms energy: -383.322120 where: bonds (distance) C4'-P energy: -114.502 bonds (distance) P-C4' energy: -106.488 flat angles C4'-P-C4' energy: -91.254 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: -26.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -595.095837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.095837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.095837 (E_RNA) where: Base-Base interactions energy: -285.897 where: short stacking energy: -143.749 Base-Backbone interact. energy: 0.688 local terms energy: -309.887774 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -100.307 flat angles C4'-P-C4' energy: -78.967 flat angles P-C4'-P energy: -55.299 tors. eta vs tors. theta energy: 7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2045.086000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.086000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.086000 (E_RNA) where: Base-Base interactions energy: -1412.884 where: short stacking energy: -591.718 Base-Backbone interact. energy: -1.182 local terms energy: -631.020139 where: bonds (distance) C4'-P energy: -119.834 bonds (distance) P-C4' energy: -117.984 flat angles C4'-P-C4' energy: -130.080 flat angles P-C4'-P energy: -92.848 tors. eta vs tors. theta energy: -170.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1957.285653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.285653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.285653 (E_RNA) where: Base-Base interactions energy: -1348.352 where: short stacking energy: -574.681 Base-Backbone interact. energy: -2.425 local terms energy: -606.508417 where: bonds (distance) C4'-P energy: -109.031 bonds (distance) P-C4' energy: -100.945 flat angles C4'-P-C4' energy: -137.331 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -183.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1805.573515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.573515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.573515 (E_RNA) where: Base-Base interactions energy: -1226.320 where: short stacking energy: -516.403 Base-Backbone interact. energy: -2.164 local terms energy: -577.089186 where: bonds (distance) C4'-P energy: -111.411 bonds (distance) P-C4' energy: -119.785 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -74.359 tors. eta vs tors. theta energy: -142.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1729.611739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.611739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.611739 (E_RNA) where: Base-Base interactions energy: -1175.827 where: short stacking energy: -524.922 Base-Backbone interact. energy: -3.226 local terms energy: -550.558729 where: bonds (distance) C4'-P energy: -102.612 bonds (distance) P-C4' energy: -103.517 flat angles C4'-P-C4' energy: -118.131 flat angles P-C4'-P energy: -79.070 tors. eta vs tors. theta energy: -147.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1589.577934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.577934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.577934 (E_RNA) where: Base-Base interactions energy: -1073.347 where: short stacking energy: -449.130 Base-Backbone interact. energy: -1.978 local terms energy: -514.252389 where: bonds (distance) C4'-P energy: -111.270 bonds (distance) P-C4' energy: -103.716 flat angles C4'-P-C4' energy: -119.599 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: -108.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1393.358752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.358752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.358752 (E_RNA) where: Base-Base interactions energy: -904.092 where: short stacking energy: -383.700 Base-Backbone interact. energy: -4.227 local terms energy: -485.039913 where: bonds (distance) C4'-P energy: -97.455 bonds (distance) P-C4' energy: -120.273 flat angles C4'-P-C4' energy: -104.021 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -86.965 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1215.596164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.596164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.596164 (E_RNA) where: Base-Base interactions energy: -762.704 where: short stacking energy: -372.284 Base-Backbone interact. energy: -1.287 local terms energy: -451.605615 where: bonds (distance) C4'-P energy: -98.988 bonds (distance) P-C4' energy: -123.340 flat angles C4'-P-C4' energy: -80.514 flat angles P-C4'-P energy: -67.782 tors. eta vs tors. theta energy: -80.981 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: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -972.304307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.304307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.304307 (E_RNA) where: Base-Base interactions energy: -552.156 where: short stacking energy: -279.190 Base-Backbone interact. energy: 0.568 local terms energy: -420.716119 where: bonds (distance) C4'-P energy: -94.171 bonds (distance) P-C4' energy: -106.307 flat angles C4'-P-C4' energy: -106.751 flat angles P-C4'-P energy: -68.298 tors. eta vs tors. theta energy: -45.190 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: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -874.472734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.472734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.472734 (E_RNA) where: Base-Base interactions energy: -518.343 where: short stacking energy: -243.702 Base-Backbone interact. energy: -0.843 local terms energy: -355.286592 where: bonds (distance) C4'-P energy: -105.845 bonds (distance) P-C4' energy: -106.090 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -35.931 tors. eta vs tors. theta energy: -19.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -573.220444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.220444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.220444 (E_RNA) where: Base-Base interactions energy: -262.874 where: short stacking energy: -144.480 Base-Backbone interact. energy: 0.584 local terms energy: -310.929616 where: bonds (distance) C4'-P energy: -80.618 bonds (distance) P-C4' energy: -107.945 flat angles C4'-P-C4' energy: -86.838 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: 10.560 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: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2013.405130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.405130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.405130 (E_RNA) where: Base-Base interactions energy: -1372.888 where: short stacking energy: -577.657 Base-Backbone interact. energy: -3.217 local terms energy: -637.300317 where: bonds (distance) C4'-P energy: -109.618 bonds (distance) P-C4' energy: -127.523 flat angles C4'-P-C4' energy: -131.799 flat angles P-C4'-P energy: -97.143 tors. eta vs tors. theta energy: -171.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1923.949860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.949860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.949860 (E_RNA) where: Base-Base interactions energy: -1319.093 where: short stacking energy: -553.964 Base-Backbone interact. energy: -0.675 local terms energy: -604.181548 where: bonds (distance) C4'-P energy: -116.405 bonds (distance) P-C4' energy: -104.593 flat angles C4'-P-C4' energy: -126.851 flat angles P-C4'-P energy: -86.343 tors. eta vs tors. theta energy: -169.990 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: 3, replica: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1785.567486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.567486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.567486 (E_RNA) where: Base-Base interactions energy: -1181.232 where: short stacking energy: -506.997 Base-Backbone interact. energy: 1.819 local terms energy: -606.155126 where: bonds (distance) C4'-P energy: -114.440 bonds (distance) P-C4' energy: -119.150 flat angles C4'-P-C4' energy: -137.759 flat angles P-C4'-P energy: -94.928 tors. eta vs tors. theta energy: -139.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1738.892737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.892737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.892737 (E_RNA) where: Base-Base interactions energy: -1171.498 where: short stacking energy: -487.172 Base-Backbone interact. energy: -3.416 local terms energy: -563.979123 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -112.766 flat angles C4'-P-C4' energy: -123.758 flat angles P-C4'-P energy: -70.088 tors. eta vs tors. theta energy: -140.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1598.896131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.896131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.896131 (E_RNA) where: Base-Base interactions energy: -1041.122 where: short stacking energy: -464.991 Base-Backbone interact. energy: -1.251 local terms energy: -556.522303 where: bonds (distance) C4'-P energy: -100.375 bonds (distance) P-C4' energy: -117.911 flat angles C4'-P-C4' energy: -124.063 flat angles P-C4'-P energy: -91.630 tors. eta vs tors. theta energy: -122.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1385.653255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.653255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.653255 (E_RNA) where: Base-Base interactions energy: -916.606 where: short stacking energy: -401.176 Base-Backbone interact. energy: -0.477 local terms energy: -468.569927 where: bonds (distance) C4'-P energy: -82.144 bonds (distance) P-C4' energy: -95.045 flat angles C4'-P-C4' energy: -120.198 flat angles P-C4'-P energy: -73.700 tors. eta vs tors. theta energy: -97.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1234.873577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.873577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.873577 (E_RNA) where: Base-Base interactions energy: -774.308 where: short stacking energy: -361.976 Base-Backbone interact. energy: -4.798 local terms energy: -455.767196 where: bonds (distance) C4'-P energy: -106.348 bonds (distance) P-C4' energy: -105.319 flat angles C4'-P-C4' energy: -95.802 flat angles P-C4'-P energy: -71.604 tors. eta vs tors. theta energy: -76.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -959.544418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.544418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.544418 (E_RNA) where: Base-Base interactions energy: -576.839 where: short stacking energy: -269.375 Base-Backbone interact. energy: 0.259 local terms energy: -382.964985 where: bonds (distance) C4'-P energy: -96.710 bonds (distance) P-C4' energy: -98.106 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -67.037 tors. eta vs tors. theta energy: -38.391 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: 1 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -870.609763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.609763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.609763 (E_RNA) where: Base-Base interactions energy: -486.211 where: short stacking energy: -238.411 Base-Backbone interact. energy: -2.650 local terms energy: -381.748497 where: bonds (distance) C4'-P energy: -98.980 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -92.717 flat angles P-C4'-P energy: -54.012 tors. eta vs tors. theta energy: -39.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -590.717885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.717885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.717885 (E_RNA) where: Base-Base interactions energy: -263.420 where: short stacking energy: -164.882 Base-Backbone interact. energy: -1.008 local terms energy: -326.290402 where: bonds (distance) C4'-P energy: -104.828 bonds (distance) P-C4' energy: -99.927 flat angles C4'-P-C4' energy: -77.839 flat angles P-C4'-P energy: -37.678 tors. eta vs tors. theta energy: -6.019 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: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2045.518806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.518806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.518806 (E_RNA) where: Base-Base interactions energy: -1397.882 where: short stacking energy: -563.115 Base-Backbone interact. energy: -3.981 local terms energy: -643.655100 where: bonds (distance) C4'-P energy: -129.486 bonds (distance) P-C4' energy: -107.766 flat angles C4'-P-C4' energy: -134.530 flat angles P-C4'-P energy: -103.180 tors. eta vs tors. theta energy: -168.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1955.779693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.779693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.779693 (E_RNA) where: Base-Base interactions energy: -1330.002 where: short stacking energy: -576.086 Base-Backbone interact. energy: -0.355 local terms energy: -625.422646 where: bonds (distance) C4'-P energy: -110.917 bonds (distance) P-C4' energy: -113.576 flat angles C4'-P-C4' energy: -143.692 flat angles P-C4'-P energy: -92.030 tors. eta vs tors. theta energy: -165.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1737.429303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.429303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.429303 (E_RNA) where: Base-Base interactions energy: -1178.631 where: short stacking energy: -514.994 Base-Backbone interact. energy: -3.312 local terms energy: -555.486843 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -109.096 flat angles C4'-P-C4' energy: -123.335 flat angles P-C4'-P energy: -79.503 tors. eta vs tors. theta energy: -141.962 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: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1768.650916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.650916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.650916 (E_RNA) where: Base-Base interactions energy: -1200.933 where: short stacking energy: -523.721 Base-Backbone interact. energy: 4.710 local terms energy: -572.428017 where: bonds (distance) C4'-P energy: -110.333 bonds (distance) P-C4' energy: -105.898 flat angles C4'-P-C4' energy: -134.004 flat angles P-C4'-P energy: -77.128 tors. eta vs tors. theta energy: -145.065 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: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1569.293854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.293854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.293854 (E_RNA) where: Base-Base interactions energy: -1042.452 where: short stacking energy: -444.542 Base-Backbone interact. energy: 2.328 local terms energy: -529.170623 where: bonds (distance) C4'-P energy: -103.233 bonds (distance) P-C4' energy: -109.230 flat angles C4'-P-C4' energy: -117.808 flat angles P-C4'-P energy: -81.424 tors. eta vs tors. theta energy: -117.475 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: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1375.341211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.341211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.341211 (E_RNA) where: Base-Base interactions energy: -886.671 where: short stacking energy: -400.823 Base-Backbone interact. energy: -0.217 local terms energy: -488.453570 where: bonds (distance) C4'-P energy: -101.033 bonds (distance) P-C4' energy: -101.798 flat angles C4'-P-C4' energy: -113.870 flat angles P-C4'-P energy: -84.307 tors. eta vs tors. theta energy: -87.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1250.397745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.397745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.397745 (E_RNA) where: Base-Base interactions energy: -809.824 where: short stacking energy: -336.966 Base-Backbone interact. energy: -2.597 local terms energy: -437.977095 where: bonds (distance) C4'-P energy: -94.575 bonds (distance) P-C4' energy: -90.808 flat angles C4'-P-C4' energy: -116.104 flat angles P-C4'-P energy: -50.651 tors. eta vs tors. theta energy: -85.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1008.557439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.557439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.557439 (E_RNA) where: Base-Base interactions energy: -617.065 where: short stacking energy: -283.029 Base-Backbone interact. energy: 1.088 local terms energy: -392.580555 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -102.270 flat angles C4'-P-C4' energy: -90.044 flat angles P-C4'-P energy: -50.772 tors. eta vs tors. theta energy: -50.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -883.868451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.868451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.868451 (E_RNA) where: Base-Base interactions energy: -538.044 where: short stacking energy: -265.840 Base-Backbone interact. energy: 2.783 local terms energy: -348.607414 where: bonds (distance) C4'-P energy: -91.148 bonds (distance) P-C4' energy: -95.385 flat angles C4'-P-C4' energy: -81.272 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -29.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -594.962141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.962141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.962141 (E_RNA) where: Base-Base interactions energy: -297.035 where: short stacking energy: -169.632 Base-Backbone interact. energy: 1.438 local terms energy: -299.364854 where: bonds (distance) C4'-P energy: -83.891 bonds (distance) P-C4' energy: -84.980 flat angles C4'-P-C4' energy: -91.363 flat angles P-C4'-P energy: -40.104 tors. eta vs tors. theta energy: 0.973 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: 111 Temperature: 0.900000 Total energy: -2061.211142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.211142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.211142 (E_RNA) where: Base-Base interactions energy: -1437.254 where: short stacking energy: -594.102 Base-Backbone interact. energy: -2.272 local terms energy: -621.684679 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -115.495 flat angles C4'-P-C4' energy: -126.149 flat angles P-C4'-P energy: -82.400 tors. eta vs tors. theta energy: -175.640 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: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1955.918780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.918780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.918780 (E_RNA) where: Base-Base interactions energy: -1347.793 where: short stacking energy: -576.809 Base-Backbone interact. energy: -0.760 local terms energy: -607.365992 where: bonds (distance) C4'-P energy: -117.984 bonds (distance) P-C4' energy: -106.937 flat angles C4'-P-C4' energy: -127.604 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -172.834 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: 111 Temperature: 1.000000 Total energy: -1797.072681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.072681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.072681 (E_RNA) where: Base-Base interactions energy: -1213.270 where: short stacking energy: -508.679 Base-Backbone interact. energy: -0.805 local terms energy: -582.998473 where: bonds (distance) C4'-P energy: -112.929 bonds (distance) P-C4' energy: -120.091 flat angles C4'-P-C4' energy: -128.533 flat angles P-C4'-P energy: -75.838 tors. eta vs tors. theta energy: -145.607 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: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1744.350021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.350021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.350021 (E_RNA) where: Base-Base interactions energy: -1153.119 where: short stacking energy: -486.303 Base-Backbone interact. energy: -2.879 local terms energy: -588.351587 where: bonds (distance) C4'-P energy: -126.258 bonds (distance) P-C4' energy: -110.412 flat angles C4'-P-C4' energy: -116.079 flat angles P-C4'-P energy: -82.019 tors. eta vs tors. theta energy: -153.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1635.825475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.825475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.825475 (E_RNA) where: Base-Base interactions energy: -1111.285 where: short stacking energy: -473.893 Base-Backbone interact. energy: -2.527 local terms energy: -522.013833 where: bonds (distance) C4'-P energy: -107.885 bonds (distance) P-C4' energy: -104.483 flat angles C4'-P-C4' energy: -114.934 flat angles P-C4'-P energy: -78.468 tors. eta vs tors. theta energy: -116.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1416.731665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.731665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.731665 (E_RNA) where: Base-Base interactions energy: -941.759 where: short stacking energy: -380.677 Base-Backbone interact. energy: -0.998 local terms energy: -473.974971 where: bonds (distance) C4'-P energy: -102.915 bonds (distance) P-C4' energy: -116.971 flat angles C4'-P-C4' energy: -98.367 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -85.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1198.846393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.846393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.846393 (E_RNA) where: Base-Base interactions energy: -759.963 where: short stacking energy: -340.681 Base-Backbone interact. energy: -1.778 local terms energy: -437.105238 where: bonds (distance) C4'-P energy: -87.143 bonds (distance) P-C4' energy: -112.099 flat angles C4'-P-C4' energy: -100.974 flat angles P-C4'-P energy: -63.781 tors. eta vs tors. theta energy: -73.109 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: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -882.793996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.793996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.793996 (E_RNA) where: Base-Base interactions energy: -506.792 where: short stacking energy: -241.743 Base-Backbone interact. energy: -3.991 local terms energy: -372.011067 where: bonds (distance) C4'-P energy: -100.272 bonds (distance) P-C4' energy: -110.836 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -20.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -953.166833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.166833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.166833 (E_RNA) where: Base-Base interactions energy: -540.881 where: short stacking energy: -275.339 Base-Backbone interact. energy: -0.389 local terms energy: -411.896857 where: bonds (distance) C4'-P energy: -113.934 bonds (distance) P-C4' energy: -114.123 flat angles C4'-P-C4' energy: -98.243 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -40.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -627.688647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.688647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.688647 (E_RNA) where: Base-Base interactions energy: -304.218 where: short stacking energy: -180.018 Base-Backbone interact. energy: 1.048 local terms energy: -324.519448 where: bonds (distance) C4'-P energy: -96.141 bonds (distance) P-C4' energy: -100.118 flat angles C4'-P-C4' energy: -83.833 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: 10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2080.372741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.372741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.372741 (E_RNA) where: Base-Base interactions energy: -1450.248 where: short stacking energy: -587.306 Base-Backbone interact. energy: 0.093 local terms energy: -630.218562 where: bonds (distance) C4'-P energy: -115.346 bonds (distance) P-C4' energy: -124.764 flat angles C4'-P-C4' energy: -128.721 flat angles P-C4'-P energy: -92.367 tors. eta vs tors. theta energy: -169.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1938.296153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.296153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.296153 (E_RNA) where: Base-Base interactions energy: -1342.608 where: short stacking energy: -568.880 Base-Backbone interact. energy: 1.526 local terms energy: -597.214222 where: bonds (distance) C4'-P energy: -102.523 bonds (distance) P-C4' energy: -115.228 flat angles C4'-P-C4' energy: -124.101 flat angles P-C4'-P energy: -82.546 tors. eta vs tors. theta energy: -172.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1811.941178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.941178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.941178 (E_RNA) where: Base-Base interactions energy: -1223.209 where: short stacking energy: -521.953 Base-Backbone interact. energy: 1.394 local terms energy: -590.126607 where: bonds (distance) C4'-P energy: -108.105 bonds (distance) P-C4' energy: -116.601 flat angles C4'-P-C4' energy: -131.528 flat angles P-C4'-P energy: -81.149 tors. eta vs tors. theta energy: -152.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1691.520409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.520409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.520409 (E_RNA) where: Base-Base interactions energy: -1111.612 where: short stacking energy: -483.367 Base-Backbone interact. energy: -3.032 local terms energy: -576.876616 where: bonds (distance) C4'-P energy: -109.263 bonds (distance) P-C4' energy: -120.671 flat angles C4'-P-C4' energy: -118.203 flat angles P-C4'-P energy: -81.725 tors. eta vs tors. theta energy: -147.015 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: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1616.315340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.315340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.315340 (E_RNA) where: Base-Base interactions energy: -1071.075 where: short stacking energy: -479.242 Base-Backbone interact. energy: -2.794 local terms energy: -542.446298 where: bonds (distance) C4'-P energy: -112.849 bonds (distance) P-C4' energy: -104.408 flat angles C4'-P-C4' energy: -117.503 flat angles P-C4'-P energy: -80.431 tors. eta vs tors. theta energy: -127.254 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: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1393.713068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.713068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.713068 (E_RNA) where: Base-Base interactions energy: -920.227 where: short stacking energy: -386.427 Base-Backbone interact. energy: -1.770 local terms energy: -471.715715 where: bonds (distance) C4'-P energy: -97.802 bonds (distance) P-C4' energy: -105.736 flat angles C4'-P-C4' energy: -103.947 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -92.168 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: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1252.168909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.168909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.168909 (E_RNA) where: Base-Base interactions energy: -800.513 where: short stacking energy: -351.858 Base-Backbone interact. energy: 0.528 local terms energy: -452.183955 where: bonds (distance) C4'-P energy: -94.517 bonds (distance) P-C4' energy: -120.785 flat angles C4'-P-C4' energy: -97.950 flat angles P-C4'-P energy: -60.679 tors. eta vs tors. theta energy: -78.252 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: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -926.314856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.314856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.314856 (E_RNA) where: Base-Base interactions energy: -502.073 where: short stacking energy: -251.897 Base-Backbone interact. energy: -0.660 local terms energy: -423.582119 where: bonds (distance) C4'-P energy: -96.784 bonds (distance) P-C4' energy: -112.081 flat angles C4'-P-C4' energy: -104.656 flat angles P-C4'-P energy: -71.789 tors. eta vs tors. theta energy: -38.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -930.679831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.679831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.679831 (E_RNA) where: Base-Base interactions energy: -539.500 where: short stacking energy: -300.041 Base-Backbone interact. energy: -0.167 local terms energy: -391.012414 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -94.640 flat angles C4'-P-C4' energy: -94.259 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -49.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -676.637437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.637437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.637437 (E_RNA) where: Base-Base interactions energy: -340.174 where: short stacking energy: -187.881 Base-Backbone interact. energy: -0.214 local terms energy: -336.248535 where: bonds (distance) C4'-P energy: -102.259 bonds (distance) P-C4' energy: -109.419 flat angles C4'-P-C4' energy: -75.294 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: -7.656 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: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2075.985718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.985718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.985718 (E_RNA) where: Base-Base interactions energy: -1432.835 where: short stacking energy: -580.619 Base-Backbone interact. energy: -3.755 local terms energy: -639.395677 where: bonds (distance) C4'-P energy: -125.091 bonds (distance) P-C4' energy: -126.043 flat angles C4'-P-C4' energy: -125.856 flat angles P-C4'-P energy: -92.488 tors. eta vs tors. theta energy: -169.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1953.287121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.287121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.287121 (E_RNA) where: Base-Base interactions energy: -1353.108 where: short stacking energy: -576.020 Base-Backbone interact. energy: -3.201 local terms energy: -596.977425 where: bonds (distance) C4'-P energy: -109.673 bonds (distance) P-C4' energy: -102.059 flat angles C4'-P-C4' energy: -133.249 flat angles P-C4'-P energy: -84.472 tors. eta vs tors. theta energy: -167.524 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: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1869.814923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.814923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.814923 (E_RNA) where: Base-Base interactions energy: -1293.903 where: short stacking energy: -553.408 Base-Backbone interact. energy: -2.595 local terms energy: -573.316450 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -125.460 flat angles C4'-P-C4' energy: -126.685 flat angles P-C4'-P energy: -75.701 tors. eta vs tors. theta energy: -146.560 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: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1677.764402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.764402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.764402 (E_RNA) where: Base-Base interactions energy: -1136.641 where: short stacking energy: -488.002 Base-Backbone interact. energy: -0.250 local terms energy: -540.874147 where: bonds (distance) C4'-P energy: -89.973 bonds (distance) P-C4' energy: -103.159 flat angles C4'-P-C4' energy: -127.305 flat angles P-C4'-P energy: -75.140 tors. eta vs tors. theta energy: -145.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1602.339234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.339234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.339234 (E_RNA) where: Base-Base interactions energy: -1100.438 where: short stacking energy: -454.328 Base-Backbone interact. energy: 2.053 local terms energy: -503.953806 where: bonds (distance) C4'-P energy: -106.375 bonds (distance) P-C4' energy: -102.495 flat angles C4'-P-C4' energy: -109.923 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -114.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1354.212973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.212973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.212973 (E_RNA) where: Base-Base interactions energy: -890.842 where: short stacking energy: -380.669 Base-Backbone interact. energy: 2.254 local terms energy: -465.624462 where: bonds (distance) C4'-P energy: -115.807 bonds (distance) P-C4' energy: -95.571 flat angles C4'-P-C4' energy: -98.688 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -86.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1184.550674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.550674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.550674 (E_RNA) where: Base-Base interactions energy: -750.362 where: short stacking energy: -337.613 Base-Backbone interact. energy: -3.299 local terms energy: -430.889572 where: bonds (distance) C4'-P energy: -104.864 bonds (distance) P-C4' energy: -79.751 flat angles C4'-P-C4' energy: -103.966 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -77.584 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: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -983.662327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.662327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.662327 (E_RNA) where: Base-Base interactions energy: -555.021 where: short stacking energy: -276.975 Base-Backbone interact. energy: -1.764 local terms energy: -426.877494 where: bonds (distance) C4'-P energy: -103.391 bonds (distance) P-C4' energy: -111.079 flat angles C4'-P-C4' energy: -82.558 flat angles P-C4'-P energy: -81.533 tors. eta vs tors. theta energy: -48.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -805.750497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.750497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.750497 (E_RNA) where: Base-Base interactions energy: -431.227 where: short stacking energy: -213.617 Base-Backbone interact. energy: -2.186 local terms energy: -372.336839 where: bonds (distance) C4'-P energy: -100.800 bonds (distance) P-C4' energy: -98.731 flat angles C4'-P-C4' energy: -102.572 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: -9.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -666.585661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.585661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.585661 (E_RNA) where: Base-Base interactions energy: -335.010 where: short stacking energy: -188.165 Base-Backbone interact. energy: 1.172 local terms energy: -332.748074 where: bonds (distance) C4'-P energy: -90.389 bonds (distance) P-C4' energy: -100.559 flat angles C4'-P-C4' energy: -87.978 flat angles P-C4'-P energy: -44.918 tors. eta vs tors. theta energy: -8.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2046.189744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.189744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.189744 (E_RNA) where: Base-Base interactions energy: -1409.840 where: short stacking energy: -596.918 Base-Backbone interact. energy: -0.648 local terms energy: -635.701923 where: bonds (distance) C4'-P energy: -118.030 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -129.809 flat angles P-C4'-P energy: -89.846 tors. eta vs tors. theta energy: -169.165 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1947.494914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.494914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.494914 (E_RNA) where: Base-Base interactions energy: -1340.186 where: short stacking energy: -582.963 Base-Backbone interact. energy: -3.511 local terms energy: -603.798362 where: bonds (distance) C4'-P energy: -111.604 bonds (distance) P-C4' energy: -107.299 flat angles C4'-P-C4' energy: -132.480 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -170.142 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: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1827.320342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.320342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.320342 (E_RNA) where: Base-Base interactions energy: -1240.387 where: short stacking energy: -520.640 Base-Backbone interact. energy: -1.126 local terms energy: -585.806868 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -124.168 flat angles C4'-P-C4' energy: -118.700 flat angles P-C4'-P energy: -73.963 tors. eta vs tors. theta energy: -154.369 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: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1691.306890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.306890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.306890 (E_RNA) where: Base-Base interactions energy: -1121.377 where: short stacking energy: -494.486 Base-Backbone interact. energy: 3.123 local terms energy: -573.053169 where: bonds (distance) C4'-P energy: -115.516 bonds (distance) P-C4' energy: -103.119 flat angles C4'-P-C4' energy: -124.615 flat angles P-C4'-P energy: -84.178 tors. eta vs tors. theta energy: -145.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1623.252419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.252419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.252419 (E_RNA) where: Base-Base interactions energy: -1069.057 where: short stacking energy: -466.280 Base-Backbone interact. energy: -3.716 local terms energy: -550.479190 where: bonds (distance) C4'-P energy: -108.378 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -126.181 flat angles P-C4'-P energy: -70.486 tors. eta vs tors. theta energy: -124.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1331.480704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.480704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.480704 (E_RNA) where: Base-Base interactions energy: -866.386 where: short stacking energy: -386.112 Base-Backbone interact. energy: -2.937 local terms energy: -462.157655 where: bonds (distance) C4'-P energy: -84.950 bonds (distance) P-C4' energy: -92.124 flat angles C4'-P-C4' energy: -119.259 flat angles P-C4'-P energy: -75.267 tors. eta vs tors. theta energy: -90.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1233.255484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.255484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.255484 (E_RNA) where: Base-Base interactions energy: -781.365 where: short stacking energy: -379.651 Base-Backbone interact. energy: -1.383 local terms energy: -450.508108 where: bonds (distance) C4'-P energy: -108.693 bonds (distance) P-C4' energy: -99.788 flat angles C4'-P-C4' energy: -107.761 flat angles P-C4'-P energy: -47.189 tors. eta vs tors. theta energy: -87.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -969.507890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.507890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.507890 (E_RNA) where: Base-Base interactions energy: -553.882 where: short stacking energy: -297.373 Base-Backbone interact. energy: -2.079 local terms energy: -413.547219 where: bonds (distance) C4'-P energy: -98.589 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -76.012 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: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -827.744057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.744057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.744057 (E_RNA) where: Base-Base interactions energy: -432.594 where: short stacking energy: -216.233 Base-Backbone interact. energy: 2.885 local terms energy: -398.035583 where: bonds (distance) C4'-P energy: -111.348 bonds (distance) P-C4' energy: -116.282 flat angles C4'-P-C4' energy: -92.438 flat angles P-C4'-P energy: -55.008 tors. eta vs tors. theta energy: -22.959 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: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -612.623476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.623476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.623476 (E_RNA) where: Base-Base interactions energy: -319.817 where: short stacking energy: -190.646 Base-Backbone interact. energy: -0.991 local terms energy: -291.814740 where: bonds (distance) C4'-P energy: -86.932 bonds (distance) P-C4' energy: -97.911 flat angles C4'-P-C4' energy: -72.355 flat angles P-C4'-P energy: -32.436 tors. eta vs tors. theta energy: -2.180 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: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2069.121763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.121763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.121763 (E_RNA) where: Base-Base interactions energy: -1434.907 where: short stacking energy: -594.900 Base-Backbone interact. energy: -4.669 local terms energy: -629.545959 where: bonds (distance) C4'-P energy: -108.667 bonds (distance) P-C4' energy: -117.834 flat angles C4'-P-C4' energy: -137.196 flat angles P-C4'-P energy: -89.901 tors. eta vs tors. theta energy: -175.948 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: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1933.113023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.113023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.113023 (E_RNA) where: Base-Base interactions energy: -1332.891 where: short stacking energy: -571.633 Base-Backbone interact. energy: -1.437 local terms energy: -598.784778 where: bonds (distance) C4'-P energy: -105.296 bonds (distance) P-C4' energy: -119.485 flat angles C4'-P-C4' energy: -119.701 flat angles P-C4'-P energy: -89.253 tors. eta vs tors. theta energy: -165.051 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: 115 Temperature: 1.000000 Total energy: -1892.420564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.420564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.420564 (E_RNA) where: Base-Base interactions energy: -1285.905 where: short stacking energy: -552.737 Base-Backbone interact. energy: 0.552 local terms energy: -607.067562 where: bonds (distance) C4'-P energy: -118.722 bonds (distance) P-C4' energy: -117.565 flat angles C4'-P-C4' energy: -135.331 flat angles P-C4'-P energy: -81.252 tors. eta vs tors. theta energy: -154.197 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: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1721.671700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.671700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.671700 (E_RNA) where: Base-Base interactions energy: -1149.190 where: short stacking energy: -492.280 Base-Backbone interact. energy: -3.177 local terms energy: -569.304535 where: bonds (distance) C4'-P energy: -100.884 bonds (distance) P-C4' energy: -114.809 flat angles C4'-P-C4' energy: -118.506 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -151.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1610.240226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.240226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.240226 (E_RNA) where: Base-Base interactions energy: -1081.774 where: short stacking energy: -447.130 Base-Backbone interact. energy: -3.263 local terms energy: -525.203156 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -99.777 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -76.585 tors. eta vs tors. theta energy: -113.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1330.557712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.557712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.557712 (E_RNA) where: Base-Base interactions energy: -860.019 where: short stacking energy: -370.448 Base-Backbone interact. energy: 0.300 local terms energy: -470.838873 where: bonds (distance) C4'-P energy: -103.150 bonds (distance) P-C4' energy: -102.487 flat angles C4'-P-C4' energy: -123.133 flat angles P-C4'-P energy: -56.506 tors. eta vs tors. theta energy: -85.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1216.595187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.595187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.595187 (E_RNA) where: Base-Base interactions energy: -780.555 where: short stacking energy: -369.569 Base-Backbone interact. energy: 0.217 local terms energy: -436.256901 where: bonds (distance) C4'-P energy: -87.893 bonds (distance) P-C4' energy: -87.516 flat angles C4'-P-C4' energy: -97.038 flat angles P-C4'-P energy: -71.024 tors. eta vs tors. theta energy: -92.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -909.422125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.422125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.422125 (E_RNA) where: Base-Base interactions energy: -534.588 where: short stacking energy: -258.924 Base-Backbone interact. energy: -1.845 local terms energy: -372.989212 where: bonds (distance) C4'-P energy: -87.225 bonds (distance) P-C4' energy: -84.614 flat angles C4'-P-C4' energy: -106.369 flat angles P-C4'-P energy: -53.449 tors. eta vs tors. theta energy: -41.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -856.740393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.740393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.740393 (E_RNA) where: Base-Base interactions energy: -502.058 where: short stacking energy: -262.949 Base-Backbone interact. energy: -0.608 local terms energy: -354.074696 where: bonds (distance) C4'-P energy: -86.622 bonds (distance) P-C4' energy: -105.747 flat angles C4'-P-C4' energy: -83.634 flat angles P-C4'-P energy: -44.230 tors. eta vs tors. theta energy: -33.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -606.566231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.566231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.566231 (E_RNA) where: Base-Base interactions energy: -239.201 where: short stacking energy: -141.627 Base-Backbone interact. energy: -0.239 local terms energy: -367.126407 where: bonds (distance) C4'-P energy: -112.608 bonds (distance) P-C4' energy: -112.036 flat angles C4'-P-C4' energy: -86.111 flat angles P-C4'-P energy: -69.352 tors. eta vs tors. theta energy: 12.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2093.221311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.221311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.221311 (E_RNA) where: Base-Base interactions energy: -1445.388 where: short stacking energy: -602.270 Base-Backbone interact. energy: -5.748 local terms energy: -642.084831 where: bonds (distance) C4'-P energy: -112.438 bonds (distance) P-C4' energy: -117.810 flat angles C4'-P-C4' energy: -128.557 flat angles P-C4'-P energy: -95.163 tors. eta vs tors. theta energy: -188.117 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: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1933.734924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.734924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.734924 (E_RNA) where: Base-Base interactions energy: -1324.825 where: short stacking energy: -569.603 Base-Backbone interact. energy: -1.589 local terms energy: -607.321051 where: bonds (distance) C4'-P energy: -108.940 bonds (distance) P-C4' energy: -127.997 flat angles C4'-P-C4' energy: -118.432 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -166.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1886.996346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.996346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.996346 (E_RNA) where: Base-Base interactions energy: -1302.190 where: short stacking energy: -567.086 Base-Backbone interact. energy: 0.275 local terms energy: -585.081848 where: bonds (distance) C4'-P energy: -88.628 bonds (distance) P-C4' energy: -122.926 flat angles C4'-P-C4' energy: -137.184 flat angles P-C4'-P energy: -82.345 tors. eta vs tors. theta energy: -153.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1695.729245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.729245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.729245 (E_RNA) where: Base-Base interactions energy: -1156.137 where: short stacking energy: -504.757 Base-Backbone interact. energy: -4.975 local terms energy: -534.617588 where: bonds (distance) C4'-P energy: -97.368 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -117.100 flat angles P-C4'-P energy: -74.693 tors. eta vs tors. theta energy: -138.105 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: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1636.104598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.104598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.104598 (E_RNA) where: Base-Base interactions energy: -1114.916 where: short stacking energy: -475.431 Base-Backbone interact. energy: 1.982 local terms energy: -523.170552 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -108.092 flat angles C4'-P-C4' energy: -129.621 flat angles P-C4'-P energy: -70.178 tors. eta vs tors. theta energy: -132.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1278.935136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.935136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.935136 (E_RNA) where: Base-Base interactions energy: -830.402 where: short stacking energy: -399.677 Base-Backbone interact. energy: 1.045 local terms energy: -449.577496 where: bonds (distance) C4'-P energy: -92.779 bonds (distance) P-C4' energy: -101.583 flat angles C4'-P-C4' energy: -115.456 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -65.928 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: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1244.549648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.549648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.549648 (E_RNA) where: Base-Base interactions energy: -781.539 where: short stacking energy: -382.737 Base-Backbone interact. energy: -1.180 local terms energy: -461.830388 where: bonds (distance) C4'-P energy: -90.842 bonds (distance) P-C4' energy: -97.159 flat angles C4'-P-C4' energy: -110.159 flat angles P-C4'-P energy: -68.948 tors. eta vs tors. theta energy: -94.722 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: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -927.895636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.895636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.895636 (E_RNA) where: Base-Base interactions energy: -534.562 where: short stacking energy: -275.207 Base-Backbone interact. energy: 0.766 local terms energy: -394.100325 where: bonds (distance) C4'-P energy: -82.797 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -103.204 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -42.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -813.716777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.716777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.716777 (E_RNA) where: Base-Base interactions energy: -455.737 where: short stacking energy: -238.401 Base-Backbone interact. energy: -1.274 local terms energy: -356.705333 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -82.683 flat angles C4'-P-C4' energy: -88.243 flat angles P-C4'-P energy: -54.679 tors. eta vs tors. theta energy: -23.164 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: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -562.029824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.029824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.029824 (E_RNA) where: Base-Base interactions energy: -251.220 where: short stacking energy: -150.566 Base-Backbone interact. energy: -1.187 local terms energy: -309.623230 where: bonds (distance) C4'-P energy: -84.930 bonds (distance) P-C4' energy: -108.159 flat angles C4'-P-C4' energy: -82.854 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: 25.915 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: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2083.839537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.839537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.839537 (E_RNA) where: Base-Base interactions energy: -1450.606 where: short stacking energy: -600.090 Base-Backbone interact. energy: -1.194 local terms energy: -632.039920 where: bonds (distance) C4'-P energy: -115.128 bonds (distance) P-C4' energy: -105.254 flat angles C4'-P-C4' energy: -138.012 flat angles P-C4'-P energy: -89.235 tors. eta vs tors. theta energy: -184.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1942.068872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.068872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.068872 (E_RNA) where: Base-Base interactions energy: -1333.282 where: short stacking energy: -569.773 Base-Backbone interact. energy: -2.823 local terms energy: -605.963936 where: bonds (distance) C4'-P energy: -117.751 bonds (distance) P-C4' energy: -102.640 flat angles C4'-P-C4' energy: -120.473 flat angles P-C4'-P energy: -88.947 tors. eta vs tors. theta energy: -176.153 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: 117 Temperature: 1.000000 Total energy: -1880.134163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.134163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.134163 (E_RNA) where: Base-Base interactions energy: -1293.173 where: short stacking energy: -548.864 Base-Backbone interact. energy: -4.064 local terms energy: -582.897268 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -117.670 flat angles C4'-P-C4' energy: -127.914 flat angles P-C4'-P energy: -74.700 tors. eta vs tors. theta energy: -158.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1719.434116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.434116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.434116 (E_RNA) where: Base-Base interactions energy: -1159.385 where: short stacking energy: -498.772 Base-Backbone interact. energy: 1.427 local terms energy: -561.475848 where: bonds (distance) C4'-P energy: -111.216 bonds (distance) P-C4' energy: -114.026 flat angles C4'-P-C4' energy: -109.499 flat angles P-C4'-P energy: -75.333 tors. eta vs tors. theta energy: -151.401 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: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1667.158965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.158965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.158965 (E_RNA) where: Base-Base interactions energy: -1146.150 where: short stacking energy: -509.277 Base-Backbone interact. energy: 1.374 local terms energy: -522.382956 where: bonds (distance) C4'-P energy: -112.613 bonds (distance) P-C4' energy: -94.185 flat angles C4'-P-C4' energy: -117.456 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -129.394 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: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1351.114372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.114372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.114372 (E_RNA) where: Base-Base interactions energy: -878.460 where: short stacking energy: -397.266 Base-Backbone interact. energy: -2.259 local terms energy: -470.395417 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -105.272 flat angles C4'-P-C4' energy: -116.256 flat angles P-C4'-P energy: -72.584 tors. eta vs tors. theta energy: -83.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1254.281147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.281147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.281147 (E_RNA) where: Base-Base interactions energy: -811.166 where: short stacking energy: -368.112 Base-Backbone interact. energy: 4.095 local terms energy: -447.209728 where: bonds (distance) C4'-P energy: -100.701 bonds (distance) P-C4' energy: -107.029 flat angles C4'-P-C4' energy: -111.502 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -73.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -886.438512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.438512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.438512 (E_RNA) where: Base-Base interactions energy: -525.304 where: short stacking energy: -250.251 Base-Backbone interact. energy: -3.815 local terms energy: -357.319672 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -106.015 flat angles C4'-P-C4' energy: -68.163 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -26.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -747.471339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.471339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.471339 (E_RNA) where: Base-Base interactions energy: -369.527 where: short stacking energy: -205.520 Base-Backbone interact. energy: -0.769 local terms energy: -377.176042 where: bonds (distance) C4'-P energy: -93.883 bonds (distance) P-C4' energy: -115.336 flat angles C4'-P-C4' energy: -94.931 flat angles P-C4'-P energy: -55.447 tors. eta vs tors. theta energy: -17.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -567.761285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.761285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.761285 (E_RNA) where: Base-Base interactions energy: -272.806 where: short stacking energy: -156.667 Base-Backbone interact. energy: -4.315 local terms energy: -290.640319 where: bonds (distance) C4'-P energy: -83.103 bonds (distance) P-C4' energy: -82.721 flat angles C4'-P-C4' energy: -106.300 flat angles P-C4'-P energy: -28.007 tors. eta vs tors. theta energy: 9.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2080.570840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.570840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.570840 (E_RNA) where: Base-Base interactions energy: -1436.672 where: short stacking energy: -605.561 Base-Backbone interact. energy: -3.708 local terms energy: -640.191526 where: bonds (distance) C4'-P energy: -119.214 bonds (distance) P-C4' energy: -118.594 flat angles C4'-P-C4' energy: -133.014 flat angles P-C4'-P energy: -88.292 tors. eta vs tors. theta energy: -181.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1937.482141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.482141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.482141 (E_RNA) where: Base-Base interactions energy: -1313.047 where: short stacking energy: -576.446 Base-Backbone interact. energy: -2.838 local terms energy: -621.597139 where: bonds (distance) C4'-P energy: -119.181 bonds (distance) P-C4' energy: -107.319 flat angles C4'-P-C4' energy: -133.867 flat angles P-C4'-P energy: -87.387 tors. eta vs tors. theta energy: -173.842 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: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1875.905681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.905681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.905681 (E_RNA) where: Base-Base interactions energy: -1285.476 where: short stacking energy: -533.769 Base-Backbone interact. energy: -2.022 local terms energy: -588.407820 where: bonds (distance) C4'-P energy: -124.938 bonds (distance) P-C4' energy: -100.583 flat angles C4'-P-C4' energy: -123.840 flat angles P-C4'-P energy: -90.014 tors. eta vs tors. theta energy: -149.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1752.932907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.932907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.932907 (E_RNA) where: Base-Base interactions energy: -1219.733 where: short stacking energy: -500.716 Base-Backbone interact. energy: -3.001 local terms energy: -530.198631 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -112.999 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -140.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1630.371775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.371775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.371775 (E_RNA) where: Base-Base interactions energy: -1084.954 where: short stacking energy: -444.729 Base-Backbone interact. energy: -1.163 local terms energy: -544.255167 where: bonds (distance) C4'-P energy: -104.142 bonds (distance) P-C4' energy: -102.802 flat angles C4'-P-C4' energy: -131.961 flat angles P-C4'-P energy: -68.030 tors. eta vs tors. theta energy: -137.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1327.829502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.829502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.829502 (E_RNA) where: Base-Base interactions energy: -868.133 where: short stacking energy: -411.586 Base-Backbone interact. energy: -1.466 local terms energy: -458.230982 where: bonds (distance) C4'-P energy: -85.015 bonds (distance) P-C4' energy: -108.433 flat angles C4'-P-C4' energy: -101.702 flat angles P-C4'-P energy: -68.498 tors. eta vs tors. theta energy: -94.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1235.734851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.734851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.734851 (E_RNA) where: Base-Base interactions energy: -774.140 where: short stacking energy: -364.507 Base-Backbone interact. energy: -0.786 local terms energy: -460.809637 where: bonds (distance) C4'-P energy: -102.332 bonds (distance) P-C4' energy: -100.437 flat angles C4'-P-C4' energy: -103.818 flat angles P-C4'-P energy: -71.687 tors. eta vs tors. theta energy: -82.535 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: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1017.914988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.914988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.914988 (E_RNA) where: Base-Base interactions energy: -598.307 where: short stacking energy: -299.119 Base-Backbone interact. energy: -2.503 local terms energy: -417.105593 where: bonds (distance) C4'-P energy: -79.856 bonds (distance) P-C4' energy: -119.803 flat angles C4'-P-C4' energy: -105.877 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: -60.850 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: 4 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -749.258378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.258378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.258378 (E_RNA) where: Base-Base interactions energy: -435.870 where: short stacking energy: -225.772 Base-Backbone interact. energy: 0.497 local terms energy: -313.886069 where: bonds (distance) C4'-P energy: -89.484 bonds (distance) P-C4' energy: -81.113 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -61.584 tors. eta vs tors. theta energy: -11.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -636.205211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.205211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.205211 (E_RNA) where: Base-Base interactions energy: -328.380 where: short stacking energy: -198.556 Base-Backbone interact. energy: 3.631 local terms energy: -311.455561 where: bonds (distance) C4'-P energy: -86.180 bonds (distance) P-C4' energy: -103.212 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: 2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2077.120803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.120803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.120803 (E_RNA) where: Base-Base interactions energy: -1433.914 where: short stacking energy: -593.621 Base-Backbone interact. energy: -1.937 local terms energy: -641.270026 where: bonds (distance) C4'-P energy: -117.129 bonds (distance) P-C4' energy: -116.081 flat angles C4'-P-C4' energy: -139.548 flat angles P-C4'-P energy: -98.494 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: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1978.011410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.011410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.011410 (E_RNA) where: Base-Base interactions energy: -1356.793 where: short stacking energy: -604.596 Base-Backbone interact. energy: -4.401 local terms energy: -616.816929 where: bonds (distance) C4'-P energy: -108.163 bonds (distance) P-C4' energy: -117.427 flat angles C4'-P-C4' energy: -132.600 flat angles P-C4'-P energy: -71.834 tors. eta vs tors. theta energy: -186.794 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: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1882.240263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.240263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.240263 (E_RNA) where: Base-Base interactions energy: -1319.240 where: short stacking energy: -545.072 Base-Backbone interact. energy: -3.748 local terms energy: -559.252511 where: bonds (distance) C4'-P energy: -115.290 bonds (distance) P-C4' energy: -110.406 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -75.413 tors. eta vs tors. theta energy: -144.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1704.268999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.268999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.268999 (E_RNA) where: Base-Base interactions energy: -1175.977 where: short stacking energy: -472.539 Base-Backbone interact. energy: -5.288 local terms energy: -523.003565 where: bonds (distance) C4'-P energy: -89.119 bonds (distance) P-C4' energy: -113.975 flat angles C4'-P-C4' energy: -130.373 flat angles P-C4'-P energy: -73.357 tors. eta vs tors. theta energy: -116.180 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: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1572.882944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.882944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.882944 (E_RNA) where: Base-Base interactions energy: -1052.949 where: short stacking energy: -476.211 Base-Backbone interact. energy: 3.723 local terms energy: -523.657415 where: bonds (distance) C4'-P energy: -103.879 bonds (distance) P-C4' energy: -105.691 flat angles C4'-P-C4' energy: -125.128 flat angles P-C4'-P energy: -71.148 tors. eta vs tors. theta energy: -117.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1276.464081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.464081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.464081 (E_RNA) where: Base-Base interactions energy: -834.141 where: short stacking energy: -382.556 Base-Backbone interact. energy: 0.113 local terms energy: -442.436162 where: bonds (distance) C4'-P energy: -82.336 bonds (distance) P-C4' energy: -110.689 flat angles C4'-P-C4' energy: -99.564 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -84.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1258.499028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.499028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.499028 (E_RNA) where: Base-Base interactions energy: -842.073 where: short stacking energy: -356.443 Base-Backbone interact. energy: -2.008 local terms energy: -414.417484 where: bonds (distance) C4'-P energy: -80.811 bonds (distance) P-C4' energy: -103.488 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -58.099 tors. eta vs tors. theta energy: -74.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -991.578064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.578064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.578064 (E_RNA) where: Base-Base interactions energy: -591.207 where: short stacking energy: -280.143 Base-Backbone interact. energy: -0.042 local terms energy: -400.329539 where: bonds (distance) C4'-P energy: -78.513 bonds (distance) P-C4' energy: -108.470 flat angles C4'-P-C4' energy: -101.886 flat angles P-C4'-P energy: -56.152 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: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -675.533894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.533894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.533894 (E_RNA) where: Base-Base interactions energy: -357.866 where: short stacking energy: -194.620 Base-Backbone interact. energy: -0.134 local terms energy: -317.533918 where: bonds (distance) C4'-P energy: -104.928 bonds (distance) P-C4' energy: -98.249 flat angles C4'-P-C4' energy: -76.781 flat angles P-C4'-P energy: -40.446 tors. eta vs tors. theta energy: 2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -622.295412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.295412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.295412 (E_RNA) where: Base-Base interactions energy: -278.305 where: short stacking energy: -184.624 Base-Backbone interact. energy: 3.594 local terms energy: -347.584552 where: bonds (distance) C4'-P energy: -88.158 bonds (distance) P-C4' energy: -105.330 flat angles C4'-P-C4' energy: -94.179 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2037.923833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.923833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.923833 (E_RNA) where: Base-Base interactions energy: -1413.778 where: short stacking energy: -587.189 Base-Backbone interact. energy: -3.255 local terms energy: -620.890296 where: bonds (distance) C4'-P energy: -119.779 bonds (distance) P-C4' energy: -114.453 flat angles C4'-P-C4' energy: -128.816 flat angles P-C4'-P energy: -85.556 tors. eta vs tors. theta energy: -172.286 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: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1952.358281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.358281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.358281 (E_RNA) where: Base-Base interactions energy: -1326.967 where: short stacking energy: -576.482 Base-Backbone interact. energy: -1.071 local terms energy: -624.320587 where: bonds (distance) C4'-P energy: -118.184 bonds (distance) P-C4' energy: -124.432 flat angles C4'-P-C4' energy: -130.115 flat angles P-C4'-P energy: -81.960 tors. eta vs tors. theta energy: -169.629 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: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1824.017911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.017911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.017911 (E_RNA) where: Base-Base interactions energy: -1269.739 where: short stacking energy: -521.289 Base-Backbone interact. energy: -3.744 local terms energy: -550.534714 where: bonds (distance) C4'-P energy: -107.112 bonds (distance) P-C4' energy: -112.530 flat angles C4'-P-C4' energy: -129.899 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -131.821 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: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1719.977240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.977240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.977240 (E_RNA) where: Base-Base interactions energy: -1179.027 where: short stacking energy: -516.941 Base-Backbone interact. energy: 2.252 local terms energy: -543.201564 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -119.478 flat angles C4'-P-C4' energy: -120.461 flat angles P-C4'-P energy: -68.661 tors. eta vs tors. theta energy: -139.071 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: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1577.186912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.186912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.186912 (E_RNA) where: Base-Base interactions energy: -1034.866 where: short stacking energy: -473.790 Base-Backbone interact. energy: -1.933 local terms energy: -540.388520 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -129.981 flat angles P-C4'-P energy: -80.594 tors. eta vs tors. theta energy: -128.586 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: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1259.054678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.054678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.054678 (E_RNA) where: Base-Base interactions energy: -785.222 where: short stacking energy: -366.578 Base-Backbone interact. energy: -0.616 local terms energy: -473.216332 where: bonds (distance) C4'-P energy: -104.984 bonds (distance) P-C4' energy: -109.806 flat angles C4'-P-C4' energy: -118.439 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -72.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1246.638140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.638140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.638140 (E_RNA) where: Base-Base interactions energy: -789.914 where: short stacking energy: -355.584 Base-Backbone interact. energy: -2.987 local terms energy: -453.737135 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -93.069 flat angles C4'-P-C4' energy: -105.215 flat angles P-C4'-P energy: -71.470 tors. eta vs tors. theta energy: -73.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -963.879394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.879394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.879394 (E_RNA) where: Base-Base interactions energy: -578.294 where: short stacking energy: -264.818 Base-Backbone interact. energy: 0.495 local terms energy: -386.080287 where: bonds (distance) C4'-P energy: -90.355 bonds (distance) P-C4' energy: -108.670 flat angles C4'-P-C4' energy: -82.734 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -35.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -675.342476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.342476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.342476 (E_RNA) where: Base-Base interactions energy: -334.925 where: short stacking energy: -213.501 Base-Backbone interact. energy: 1.038 local terms energy: -341.456330 where: bonds (distance) C4'-P energy: -96.076 bonds (distance) P-C4' energy: -91.729 flat angles C4'-P-C4' energy: -89.413 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -18.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -697.058780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.058780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.058780 (E_RNA) where: Base-Base interactions energy: -366.205 where: short stacking energy: -181.307 Base-Backbone interact. energy: -3.655 local terms energy: -327.199351 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -76.180 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -8.460 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: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2080.288973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.288973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.288973 (E_RNA) where: Base-Base interactions energy: -1453.536 where: short stacking energy: -595.123 Base-Backbone interact. energy: -2.220 local terms energy: -624.533819 where: bonds (distance) C4'-P energy: -116.281 bonds (distance) P-C4' energy: -115.331 flat angles C4'-P-C4' energy: -145.547 flat angles P-C4'-P energy: -80.761 tors. eta vs tors. theta energy: -166.613 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: 2 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1965.911758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.911758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.911758 (E_RNA) where: Base-Base interactions energy: -1315.601 where: short stacking energy: -569.425 Base-Backbone interact. energy: -2.952 local terms energy: -647.358580 where: bonds (distance) C4'-P energy: -119.625 bonds (distance) P-C4' energy: -124.248 flat angles C4'-P-C4' energy: -138.919 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -177.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1890.740397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.740397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.740397 (E_RNA) where: Base-Base interactions energy: -1317.275 where: short stacking energy: -557.711 Base-Backbone interact. energy: -1.865 local terms energy: -571.600533 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -115.591 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -150.496 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: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1698.363228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.363228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.363228 (E_RNA) where: Base-Base interactions energy: -1161.587 where: short stacking energy: -496.111 Base-Backbone interact. energy: -2.308 local terms energy: -534.467963 where: bonds (distance) C4'-P energy: -96.209 bonds (distance) P-C4' energy: -116.158 flat angles C4'-P-C4' energy: -105.769 flat angles P-C4'-P energy: -79.116 tors. eta vs tors. theta energy: -137.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1608.633712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.633712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.633712 (E_RNA) where: Base-Base interactions energy: -1067.103 where: short stacking energy: -480.434 Base-Backbone interact. energy: 0.410 local terms energy: -541.940561 where: bonds (distance) C4'-P energy: -120.533 bonds (distance) P-C4' energy: -103.042 flat angles C4'-P-C4' energy: -124.622 flat angles P-C4'-P energy: -68.596 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: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1301.382884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.382884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.382884 (E_RNA) where: Base-Base interactions energy: -857.654 where: short stacking energy: -379.879 Base-Backbone interact. energy: 5.107 local terms energy: -448.835529 where: bonds (distance) C4'-P energy: -77.621 bonds (distance) P-C4' energy: -107.262 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -79.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1235.695529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.695529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.695529 (E_RNA) where: Base-Base interactions energy: -782.828 where: short stacking energy: -374.824 Base-Backbone interact. energy: -1.747 local terms energy: -451.120289 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -104.033 flat angles C4'-P-C4' energy: -108.938 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -87.098 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: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -972.707796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.707796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.707796 (E_RNA) where: Base-Base interactions energy: -558.358 where: short stacking energy: -258.626 Base-Backbone interact. energy: -1.295 local terms energy: -413.054762 where: bonds (distance) C4'-P energy: -116.127 bonds (distance) P-C4' energy: -91.259 flat angles C4'-P-C4' energy: -104.829 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -35.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -705.336956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.336956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.336956 (E_RNA) where: Base-Base interactions energy: -342.160 where: short stacking energy: -199.465 Base-Backbone interact. energy: -0.837 local terms energy: -362.339968 where: bonds (distance) C4'-P energy: -93.929 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -81.594 flat angles P-C4'-P energy: -68.680 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -738.978421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.978421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.978421 (E_RNA) where: Base-Base interactions energy: -386.699 where: short stacking energy: -208.944 Base-Backbone interact. energy: 0.015 local terms energy: -352.293614 where: bonds (distance) C4'-P energy: -89.922 bonds (distance) P-C4' energy: -112.762 flat angles C4'-P-C4' energy: -89.651 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2065.621524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.621524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.621524 (E_RNA) where: Base-Base interactions energy: -1424.637 where: short stacking energy: -592.485 Base-Backbone interact. energy: -2.117 local terms energy: -638.867473 where: bonds (distance) C4'-P energy: -113.576 bonds (distance) P-C4' energy: -130.962 flat angles C4'-P-C4' energy: -132.335 flat angles P-C4'-P energy: -78.417 tors. eta vs tors. theta energy: -183.579 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: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1980.378492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.378492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.378492 (E_RNA) where: Base-Base interactions energy: -1360.301 where: short stacking energy: -567.181 Base-Backbone interact. energy: -4.510 local terms energy: -615.567455 where: bonds (distance) C4'-P energy: -105.179 bonds (distance) P-C4' energy: -119.681 flat angles C4'-P-C4' energy: -126.418 flat angles P-C4'-P energy: -84.749 tors. eta vs tors. theta energy: -179.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1871.420666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.420666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.420666 (E_RNA) where: Base-Base interactions energy: -1302.349 where: short stacking energy: -518.163 Base-Backbone interact. energy: -4.418 local terms energy: -564.653235 where: bonds (distance) C4'-P energy: -101.208 bonds (distance) P-C4' energy: -123.825 flat angles C4'-P-C4' energy: -122.350 flat angles P-C4'-P energy: -86.304 tors. eta vs tors. theta energy: -130.966 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: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1731.542811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.542811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.542811 (E_RNA) where: Base-Base interactions energy: -1173.027 where: short stacking energy: -492.634 Base-Backbone interact. energy: -3.398 local terms energy: -555.117811 where: bonds (distance) C4'-P energy: -105.673 bonds (distance) P-C4' energy: -100.879 flat angles C4'-P-C4' energy: -125.003 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -151.021 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: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1606.320493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.320493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.320493 (E_RNA) where: Base-Base interactions energy: -1092.454 where: short stacking energy: -473.960 Base-Backbone interact. energy: 1.139 local terms energy: -515.004708 where: bonds (distance) C4'-P energy: -84.225 bonds (distance) P-C4' energy: -112.402 flat angles C4'-P-C4' energy: -126.065 flat angles P-C4'-P energy: -62.779 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: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1333.643431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.643431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.643431 (E_RNA) where: Base-Base interactions energy: -874.168 where: short stacking energy: -404.022 Base-Backbone interact. energy: -1.144 local terms energy: -458.331566 where: bonds (distance) C4'-P energy: -92.235 bonds (distance) P-C4' energy: -102.690 flat angles C4'-P-C4' energy: -105.602 flat angles P-C4'-P energy: -77.643 tors. eta vs tors. theta energy: -80.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1242.454452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.454452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.454452 (E_RNA) where: Base-Base interactions energy: -783.582 where: short stacking energy: -355.361 Base-Backbone interact. energy: -2.067 local terms energy: -456.805526 where: bonds (distance) C4'-P energy: -100.487 bonds (distance) P-C4' energy: -107.730 flat angles C4'-P-C4' energy: -103.915 flat angles P-C4'-P energy: -74.681 tors. eta vs tors. theta energy: -69.994 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: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -974.554158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.554158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.554158 (E_RNA) where: Base-Base interactions energy: -568.168 where: short stacking energy: -280.648 Base-Backbone interact. energy: 0.169 local terms energy: -406.554865 where: bonds (distance) C4'-P energy: -112.533 bonds (distance) P-C4' energy: -105.875 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -60.833 tors. eta vs tors. theta energy: -38.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -687.125819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.125819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.125819 (E_RNA) where: Base-Base interactions energy: -340.555 where: short stacking energy: -188.310 Base-Backbone interact. energy: -0.798 local terms energy: -345.772283 where: bonds (distance) C4'-P energy: -92.735 bonds (distance) P-C4' energy: -96.744 flat angles C4'-P-C4' energy: -107.512 flat angles P-C4'-P energy: -47.045 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -650.724773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.724773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.724773 (E_RNA) where: Base-Base interactions energy: -318.524 where: short stacking energy: -179.419 Base-Backbone interact. energy: 5.130 local terms energy: -337.331112 where: bonds (distance) C4'-P energy: -98.068 bonds (distance) P-C4' energy: -103.776 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -32.318 tors. eta vs tors. theta energy: -13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2053.346605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.346605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.346605 (E_RNA) where: Base-Base interactions energy: -1419.499 where: short stacking energy: -570.879 Base-Backbone interact. energy: -4.860 local terms energy: -628.987512 where: bonds (distance) C4'-P energy: -114.653 bonds (distance) P-C4' energy: -122.966 flat angles C4'-P-C4' energy: -141.631 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -167.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1975.769863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.769863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.769863 (E_RNA) where: Base-Base interactions energy: -1360.992 where: short stacking energy: -589.776 Base-Backbone interact. energy: -3.014 local terms energy: -611.763559 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -111.763 flat angles C4'-P-C4' energy: -130.347 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -175.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1894.206158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.206158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.206158 (E_RNA) where: Base-Base interactions energy: -1332.787 where: short stacking energy: -552.152 Base-Backbone interact. energy: 1.297 local terms energy: -562.716675 where: bonds (distance) C4'-P energy: -106.926 bonds (distance) P-C4' energy: -97.503 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -84.188 tors. eta vs tors. theta energy: -148.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1696.899446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.899446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.899446 (E_RNA) where: Base-Base interactions energy: -1140.819 where: short stacking energy: -490.686 Base-Backbone interact. energy: 2.948 local terms energy: -559.029242 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -113.323 flat angles P-C4'-P energy: -73.192 tors. eta vs tors. theta energy: -149.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1613.460335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.460335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.460335 (E_RNA) where: Base-Base interactions energy: -1066.880 where: short stacking energy: -456.791 Base-Backbone interact. energy: -3.037 local terms energy: -543.543659 where: bonds (distance) C4'-P energy: -104.581 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -125.518 flat angles P-C4'-P energy: -77.871 tors. eta vs tors. theta energy: -124.229 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: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1286.277540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.277540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.277540 (E_RNA) where: Base-Base interactions energy: -801.766 where: short stacking energy: -362.259 Base-Backbone interact. energy: -2.395 local terms energy: -482.116598 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -118.353 flat angles C4'-P-C4' energy: -106.620 flat angles P-C4'-P energy: -69.564 tors. eta vs tors. theta energy: -75.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1241.315418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.315418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.315418 (E_RNA) where: Base-Base interactions energy: -803.599 where: short stacking energy: -343.651 Base-Backbone interact. energy: 0.817 local terms energy: -438.533937 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -97.721 flat angles C4'-P-C4' energy: -109.122 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -78.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -956.825337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.825337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.825337 (E_RNA) where: Base-Base interactions energy: -554.618 where: short stacking energy: -270.645 Base-Backbone interact. energy: 0.584 local terms energy: -402.791328 where: bonds (distance) C4'-P energy: -91.411 bonds (distance) P-C4' energy: -101.481 flat angles C4'-P-C4' energy: -103.601 flat angles P-C4'-P energy: -60.688 tors. eta vs tors. theta energy: -45.610 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: 5 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -692.578217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.578217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.578217 (E_RNA) where: Base-Base interactions energy: -345.087 where: short stacking energy: -228.308 Base-Backbone interact. energy: -0.000 local terms energy: -347.491010 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -107.246 flat angles C4'-P-C4' energy: -79.611 flat angles P-C4'-P energy: -33.385 tors. eta vs tors. theta energy: -35.906 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: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -677.868871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.868871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.868871 (E_RNA) where: Base-Base interactions energy: -370.578 where: short stacking energy: -196.227 Base-Backbone interact. energy: 2.647 local terms energy: -309.938060 where: bonds (distance) C4'-P energy: -89.736 bonds (distance) P-C4' energy: -78.480 flat angles C4'-P-C4' energy: -82.426 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2064.699921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.699921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.699921 (E_RNA) where: Base-Base interactions energy: -1415.451 where: short stacking energy: -604.071 Base-Backbone interact. energy: -3.557 local terms energy: -645.691839 where: bonds (distance) C4'-P energy: -127.027 bonds (distance) P-C4' energy: -115.061 flat angles C4'-P-C4' energy: -138.074 flat angles P-C4'-P energy: -89.756 tors. eta vs tors. theta energy: -175.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1998.328395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.328395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.328395 (E_RNA) where: Base-Base interactions energy: -1356.032 where: short stacking energy: -575.324 Base-Backbone interact. energy: -2.343 local terms energy: -639.953372 where: bonds (distance) C4'-P energy: -121.111 bonds (distance) P-C4' energy: -130.744 flat angles C4'-P-C4' energy: -134.598 flat angles P-C4'-P energy: -79.380 tors. eta vs tors. theta energy: -174.121 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: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1906.200924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.200924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.200924 (E_RNA) where: Base-Base interactions energy: -1294.457 where: short stacking energy: -540.924 Base-Backbone interact. energy: -1.857 local terms energy: -609.887081 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -117.692 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -97.046 tors. eta vs tors. theta energy: -151.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1739.883611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.883611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.883611 (E_RNA) where: Base-Base interactions energy: -1202.529 where: short stacking energy: -524.407 Base-Backbone interact. energy: -2.197 local terms energy: -535.157933 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -94.374 flat angles C4'-P-C4' energy: -108.736 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -139.062 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: 124 Temperature: 1.100000 Total energy: -1581.794854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.794854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.794854 (E_RNA) where: Base-Base interactions energy: -1065.988 where: short stacking energy: -479.274 Base-Backbone interact. energy: -1.065 local terms energy: -514.742428 where: bonds (distance) C4'-P energy: -102.133 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -108.485 flat angles P-C4'-P energy: -87.128 tors. eta vs tors. theta energy: -121.412 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: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1345.953823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.953823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.953823 (E_RNA) where: Base-Base interactions energy: -883.134 where: short stacking energy: -390.288 Base-Backbone interact. energy: -2.173 local terms energy: -460.646971 where: bonds (distance) C4'-P energy: -99.848 bonds (distance) P-C4' energy: -100.060 flat angles C4'-P-C4' energy: -106.273 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -83.748 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: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1185.267642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.267642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.267642 (E_RNA) where: Base-Base interactions energy: -747.067 where: short stacking energy: -356.914 Base-Backbone interact. energy: 3.494 local terms energy: -441.694344 where: bonds (distance) C4'-P energy: -97.674 bonds (distance) P-C4' energy: -110.188 flat angles C4'-P-C4' energy: -111.993 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -70.160 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: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -934.496446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.496446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.496446 (E_RNA) where: Base-Base interactions energy: -566.586 where: short stacking energy: -236.205 Base-Backbone interact. energy: -4.398 local terms energy: -363.512423 where: bonds (distance) C4'-P energy: -85.723 bonds (distance) P-C4' energy: -104.490 flat angles C4'-P-C4' energy: -101.360 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -23.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -723.668223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.668223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.668223 (E_RNA) where: Base-Base interactions energy: -370.655 where: short stacking energy: -212.394 Base-Backbone interact. energy: 6.156 local terms energy: -359.168984 where: bonds (distance) C4'-P energy: -85.894 bonds (distance) P-C4' energy: -95.326 flat angles C4'-P-C4' energy: -93.336 flat angles P-C4'-P energy: -64.417 tors. eta vs tors. theta energy: -20.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -680.125163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.125163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.125163 (E_RNA) where: Base-Base interactions energy: -339.917 where: short stacking energy: -194.018 Base-Backbone interact. energy: 1.566 local terms energy: -341.773896 where: bonds (distance) C4'-P energy: -81.149 bonds (distance) P-C4' energy: -99.743 flat angles C4'-P-C4' energy: -92.173 flat angles P-C4'-P energy: -54.242 tors. eta vs tors. theta energy: -14.468 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: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2050.976225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.976225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.976225 (E_RNA) where: Base-Base interactions energy: -1413.304 where: short stacking energy: -589.903 Base-Backbone interact. energy: -2.738 local terms energy: -634.934217 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -134.956 flat angles P-C4'-P energy: -99.058 tors. eta vs tors. theta energy: -160.287 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: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1999.041601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.041601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.041601 (E_RNA) where: Base-Base interactions energy: -1356.997 where: short stacking energy: -579.874 Base-Backbone interact. energy: -2.877 local terms energy: -639.167248 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -113.797 flat angles C4'-P-C4' energy: -135.970 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -175.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1919.247106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.247106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.247106 (E_RNA) where: Base-Base interactions energy: -1327.097 where: short stacking energy: -557.156 Base-Backbone interact. energy: -1.409 local terms energy: -590.741258 where: bonds (distance) C4'-P energy: -112.424 bonds (distance) P-C4' energy: -115.362 flat angles C4'-P-C4' energy: -126.507 flat angles P-C4'-P energy: -84.136 tors. eta vs tors. theta energy: -152.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1702.099184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.099184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.099184 (E_RNA) where: Base-Base interactions energy: -1153.754 where: short stacking energy: -491.232 Base-Backbone interact. energy: -0.037 local terms energy: -548.308357 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -101.376 flat angles C4'-P-C4' energy: -118.207 flat angles P-C4'-P energy: -87.263 tors. eta vs tors. theta energy: -132.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1624.778692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.778692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.778692 (E_RNA) where: Base-Base interactions energy: -1095.001 where: short stacking energy: -467.863 Base-Backbone interact. energy: 1.589 local terms energy: -531.367088 where: bonds (distance) C4'-P energy: -124.468 bonds (distance) P-C4' energy: -96.022 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -69.739 tors. eta vs tors. theta energy: -130.368 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: 125 Temperature: 1.150000 Total energy: -1366.245959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.245959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.245959 (E_RNA) where: Base-Base interactions energy: -896.114 where: short stacking energy: -382.165 Base-Backbone interact. energy: 1.970 local terms energy: -472.102206 where: bonds (distance) C4'-P energy: -97.689 bonds (distance) P-C4' energy: -109.303 flat angles C4'-P-C4' energy: -109.852 flat angles P-C4'-P energy: -72.313 tors. eta vs tors. theta energy: -82.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1182.248168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.248168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.248168 (E_RNA) where: Base-Base interactions energy: -728.769 where: short stacking energy: -312.849 Base-Backbone interact. energy: 2.363 local terms energy: -455.842106 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -122.254 flat angles C4'-P-C4' energy: -101.950 flat angles P-C4'-P energy: -66.183 tors. eta vs tors. theta energy: -68.232 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: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -945.098375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.098375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.098375 (E_RNA) where: Base-Base interactions energy: -549.368 where: short stacking energy: -269.481 Base-Backbone interact. energy: -1.120 local terms energy: -394.610604 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -105.089 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -37.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -698.387687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.387687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.387687 (E_RNA) where: Base-Base interactions energy: -349.807 where: short stacking energy: -194.720 Base-Backbone interact. energy: -1.631 local terms energy: -346.950332 where: bonds (distance) C4'-P energy: -80.038 bonds (distance) P-C4' energy: -105.468 flat angles C4'-P-C4' energy: -81.049 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -20.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -631.132014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.132014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.132014 (E_RNA) where: Base-Base interactions energy: -306.305 where: short stacking energy: -172.033 Base-Backbone interact. energy: -1.657 local terms energy: -323.169538 where: bonds (distance) C4'-P energy: -95.944 bonds (distance) P-C4' energy: -104.299 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -41.590 tors. eta vs tors. theta energy: -0.008 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: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2075.689051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.689051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.689051 (E_RNA) where: Base-Base interactions energy: -1428.055 where: short stacking energy: -602.345 Base-Backbone interact. energy: -3.277 local terms energy: -644.356578 where: bonds (distance) C4'-P energy: -110.082 bonds (distance) P-C4' energy: -121.679 flat angles C4'-P-C4' energy: -138.067 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -183.784 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: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1982.424552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.424552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.424552 (E_RNA) where: Base-Base interactions energy: -1361.887 where: short stacking energy: -573.235 Base-Backbone interact. energy: -3.359 local terms energy: -617.178512 where: bonds (distance) C4'-P energy: -132.463 bonds (distance) P-C4' energy: -110.268 flat angles C4'-P-C4' energy: -126.349 flat angles P-C4'-P energy: -76.500 tors. eta vs tors. theta energy: -171.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1924.022432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.022432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.022432 (E_RNA) where: Base-Base interactions energy: -1363.290 where: short stacking energy: -553.058 Base-Backbone interact. energy: -2.744 local terms energy: -557.987957 where: bonds (distance) C4'-P energy: -97.206 bonds (distance) P-C4' energy: -107.658 flat angles C4'-P-C4' energy: -108.074 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -159.983 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: 4, replica: 7 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1695.452850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.452850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.452850 (E_RNA) where: Base-Base interactions energy: -1127.171 where: short stacking energy: -465.749 Base-Backbone interact. energy: -1.613 local terms energy: -566.668742 where: bonds (distance) C4'-P energy: -118.827 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -113.564 flat angles P-C4'-P energy: -80.138 tors. eta vs tors. theta energy: -129.547 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: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1558.249833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.249833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.249833 (E_RNA) where: Base-Base interactions energy: -1057.581 where: short stacking energy: -412.136 Base-Backbone interact. energy: -1.971 local terms energy: -498.698038 where: bonds (distance) C4'-P energy: -113.398 bonds (distance) P-C4' energy: -117.807 flat angles C4'-P-C4' energy: -98.062 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -95.095 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: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1387.618628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.618628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.618628 (E_RNA) where: Base-Base interactions energy: -927.774 where: short stacking energy: -414.440 Base-Backbone interact. energy: -0.112 local terms energy: -459.732921 where: bonds (distance) C4'-P energy: -96.034 bonds (distance) P-C4' energy: -101.903 flat angles C4'-P-C4' energy: -104.840 flat angles P-C4'-P energy: -63.215 tors. eta vs tors. theta energy: -93.742 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1217.720530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.720530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.720530 (E_RNA) where: Base-Base interactions energy: -776.614 where: short stacking energy: -359.761 Base-Backbone interact. energy: -0.132 local terms energy: -440.974406 where: bonds (distance) C4'-P energy: -104.567 bonds (distance) P-C4' energy: -85.544 flat angles C4'-P-C4' energy: -100.885 flat angles P-C4'-P energy: -70.214 tors. eta vs tors. theta energy: -79.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -907.309371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.309371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.309371 (E_RNA) where: Base-Base interactions energy: -494.023 where: short stacking energy: -266.143 Base-Backbone interact. energy: -1.050 local terms energy: -412.236853 where: bonds (distance) C4'-P energy: -84.231 bonds (distance) P-C4' energy: -118.391 flat angles C4'-P-C4' energy: -99.649 flat angles P-C4'-P energy: -67.681 tors. eta vs tors. theta energy: -42.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -734.082305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.082305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.082305 (E_RNA) where: Base-Base interactions energy: -402.966 where: short stacking energy: -236.581 Base-Backbone interact. energy: 3.477 local terms energy: -334.592739 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -90.832 flat angles C4'-P-C4' energy: -85.228 flat angles P-C4'-P energy: -25.597 tors. eta vs tors. theta energy: -28.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -653.024564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.024564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.024564 (E_RNA) where: Base-Base interactions energy: -344.729 where: short stacking energy: -180.926 Base-Backbone interact. energy: -0.730 local terms energy: -307.566102 where: bonds (distance) C4'-P energy: -75.669 bonds (distance) P-C4' energy: -86.069 flat angles C4'-P-C4' energy: -88.540 flat angles P-C4'-P energy: -59.007 tors. eta vs tors. theta energy: 1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2044.364928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.364928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.364928 (E_RNA) where: Base-Base interactions energy: -1397.931 where: short stacking energy: -590.258 Base-Backbone interact. energy: -2.866 local terms energy: -643.567123 where: bonds (distance) C4'-P energy: -120.093 bonds (distance) P-C4' energy: -119.674 flat angles C4'-P-C4' energy: -130.805 flat angles P-C4'-P energy: -98.752 tors. eta vs tors. theta energy: -174.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1974.031332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.031332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.031332 (E_RNA) where: Base-Base interactions energy: -1349.537 where: short stacking energy: -582.887 Base-Backbone interact. energy: -1.684 local terms energy: -622.810631 where: bonds (distance) C4'-P energy: -115.754 bonds (distance) P-C4' energy: -107.794 flat angles C4'-P-C4' energy: -130.035 flat angles P-C4'-P energy: -81.803 tors. eta vs tors. theta energy: -187.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1930.302226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.302226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.302226 (E_RNA) where: Base-Base interactions energy: -1334.529 where: short stacking energy: -560.607 Base-Backbone interact. energy: -2.306 local terms energy: -593.466844 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -110.649 flat angles C4'-P-C4' energy: -134.925 flat angles P-C4'-P energy: -84.597 tors. eta vs tors. theta energy: -151.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1714.226170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.226170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.226170 (E_RNA) where: Base-Base interactions energy: -1161.620 where: short stacking energy: -488.658 Base-Backbone interact. energy: -4.842 local terms energy: -547.764002 where: bonds (distance) C4'-P energy: -101.302 bonds (distance) P-C4' energy: -110.510 flat angles C4'-P-C4' energy: -128.487 flat angles P-C4'-P energy: -68.983 tors. eta vs tors. theta energy: -138.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1567.340080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.340080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.340080 (E_RNA) where: Base-Base interactions energy: -1073.165 where: short stacking energy: -457.240 Base-Backbone interact. energy: -1.142 local terms energy: -493.032922 where: bonds (distance) C4'-P energy: -92.226 bonds (distance) P-C4' energy: -105.121 flat angles C4'-P-C4' energy: -118.848 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: -113.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1450.809978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.809978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.809978 (E_RNA) where: Base-Base interactions energy: -982.711 where: short stacking energy: -402.666 Base-Backbone interact. energy: 5.197 local terms energy: -473.296264 where: bonds (distance) C4'-P energy: -107.757 bonds (distance) P-C4' energy: -97.380 flat angles C4'-P-C4' energy: -105.713 flat angles P-C4'-P energy: -67.617 tors. eta vs tors. theta energy: -94.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1223.917278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.917278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.917278 (E_RNA) where: Base-Base interactions energy: -755.764 where: short stacking energy: -352.392 Base-Backbone interact. energy: 1.349 local terms energy: -469.502359 where: bonds (distance) C4'-P energy: -105.757 bonds (distance) P-C4' energy: -100.045 flat angles C4'-P-C4' energy: -98.383 flat angles P-C4'-P energy: -80.044 tors. eta vs tors. theta energy: -85.274 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: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -957.921325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.921325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.921325 (E_RNA) where: Base-Base interactions energy: -557.220 where: short stacking energy: -294.456 Base-Backbone interact. energy: 1.170 local terms energy: -401.871966 where: bonds (distance) C4'-P energy: -98.299 bonds (distance) P-C4' energy: -101.341 flat angles C4'-P-C4' energy: -98.003 flat angles P-C4'-P energy: -52.217 tors. eta vs tors. theta energy: -52.013 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: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -697.750516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.750516 (E_RNA) where: Base-Base interactions energy: -353.009 where: short stacking energy: -209.904 Base-Backbone interact. energy: -1.128 local terms energy: -343.613758 where: bonds (distance) C4'-P energy: -85.304 bonds (distance) P-C4' energy: -102.512 flat angles C4'-P-C4' energy: -86.564 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -26.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -597.359819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.359819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.359819 (E_RNA) where: Base-Base interactions energy: -291.093 where: short stacking energy: -157.403 Base-Backbone interact. energy: 0.026 local terms energy: -306.293573 where: bonds (distance) C4'-P energy: -88.345 bonds (distance) P-C4' energy: -102.800 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -39.281 tors. eta vs tors. theta energy: 5.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2062.667328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.667328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.667328 (E_RNA) where: Base-Base interactions energy: -1441.626 where: short stacking energy: -604.677 Base-Backbone interact. energy: -3.540 local terms energy: -617.500544 where: bonds (distance) C4'-P energy: -117.916 bonds (distance) P-C4' energy: -103.300 flat angles C4'-P-C4' energy: -132.737 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -179.506 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: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1974.623902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.623902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.623902 (E_RNA) where: Base-Base interactions energy: -1341.083 where: short stacking energy: -583.303 Base-Backbone interact. energy: -4.071 local terms energy: -629.470396 where: bonds (distance) C4'-P energy: -112.332 bonds (distance) P-C4' energy: -103.982 flat angles C4'-P-C4' energy: -138.014 flat angles P-C4'-P energy: -91.602 tors. eta vs tors. theta energy: -183.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1940.969713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.969713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.969713 (E_RNA) where: Base-Base interactions energy: -1337.589 where: short stacking energy: -564.060 Base-Backbone interact. energy: -1.858 local terms energy: -601.522928 where: bonds (distance) C4'-P energy: -100.957 bonds (distance) P-C4' energy: -113.935 flat angles C4'-P-C4' energy: -130.910 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -156.350 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: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1682.601924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.601924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.601924 (E_RNA) where: Base-Base interactions energy: -1151.986 where: short stacking energy: -492.997 Base-Backbone interact. energy: -1.868 local terms energy: -528.747910 where: bonds (distance) C4'-P energy: -108.278 bonds (distance) P-C4' energy: -101.389 flat angles C4'-P-C4' energy: -116.298 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -120.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1577.320915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.320915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.320915 (E_RNA) where: Base-Base interactions energy: -1062.998 where: short stacking energy: -450.383 Base-Backbone interact. energy: -2.475 local terms energy: -511.848154 where: bonds (distance) C4'-P energy: -112.221 bonds (distance) P-C4' energy: -114.978 flat angles C4'-P-C4' energy: -113.349 flat angles P-C4'-P energy: -61.762 tors. eta vs tors. theta energy: -109.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1429.150381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.150381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.150381 (E_RNA) where: Base-Base interactions energy: -951.516 where: short stacking energy: -435.951 Base-Backbone interact. energy: 3.553 local terms energy: -481.187274 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -115.733 flat angles C4'-P-C4' energy: -109.979 flat angles P-C4'-P energy: -68.752 tors. eta vs tors. theta energy: -106.210 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: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1241.663443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.663443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.663443 (E_RNA) where: Base-Base interactions energy: -800.424 where: short stacking energy: -368.054 Base-Backbone interact. energy: 2.146 local terms energy: -443.386331 where: bonds (distance) C4'-P energy: -108.148 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -100.221 flat angles P-C4'-P energy: -75.028 tors. eta vs tors. theta energy: -86.481 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -918.619230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.619230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.619230 (E_RNA) where: Base-Base interactions energy: -525.987 where: short stacking energy: -279.013 Base-Backbone interact. energy: 1.512 local terms energy: -394.145215 where: bonds (distance) C4'-P energy: -108.035 bonds (distance) P-C4' energy: -105.342 flat angles C4'-P-C4' energy: -85.482 flat angles P-C4'-P energy: -56.872 tors. eta vs tors. theta energy: -38.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -772.362982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.362982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.362982 (E_RNA) where: Base-Base interactions energy: -433.680 where: short stacking energy: -236.900 Base-Backbone interact. energy: -2.323 local terms energy: -336.359864 where: bonds (distance) C4'-P energy: -87.520 bonds (distance) P-C4' energy: -88.151 flat angles C4'-P-C4' energy: -93.350 flat angles P-C4'-P energy: -47.145 tors. eta vs tors. theta energy: -20.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -652.141599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.141599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.141599 (E_RNA) where: Base-Base interactions energy: -335.232 where: short stacking energy: -178.816 Base-Backbone interact. energy: -0.681 local terms energy: -316.228149 where: bonds (distance) C4'-P energy: -82.886 bonds (distance) P-C4' energy: -84.302 flat angles C4'-P-C4' energy: -97.963 flat angles P-C4'-P energy: -48.693 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2066.994002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.994002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.994002 (E_RNA) where: Base-Base interactions energy: -1424.209 where: short stacking energy: -601.383 Base-Backbone interact. energy: -2.326 local terms energy: -640.458967 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -123.459 flat angles C4'-P-C4' energy: -132.793 flat angles P-C4'-P energy: -86.370 tors. eta vs tors. theta energy: -173.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1958.971641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.971641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.971641 (E_RNA) where: Base-Base interactions energy: -1363.514 where: short stacking energy: -548.853 Base-Backbone interact. energy: -2.216 local terms energy: -593.241191 where: bonds (distance) C4'-P energy: -113.483 bonds (distance) P-C4' energy: -110.939 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -85.907 tors. eta vs tors. theta energy: -150.923 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: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1917.034081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.034081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.034081 (E_RNA) where: Base-Base interactions energy: -1306.640 where: short stacking energy: -566.572 Base-Backbone interact. energy: -3.086 local terms energy: -607.307692 where: bonds (distance) C4'-P energy: -102.157 bonds (distance) P-C4' energy: -125.814 flat angles C4'-P-C4' energy: -134.836 flat angles P-C4'-P energy: -84.267 tors. eta vs tors. theta energy: -160.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1670.983457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.983457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.983457 (E_RNA) where: Base-Base interactions energy: -1126.324 where: short stacking energy: -487.243 Base-Backbone interact. energy: -0.935 local terms energy: -543.724334 where: bonds (distance) C4'-P energy: -108.156 bonds (distance) P-C4' energy: -117.466 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -134.281 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: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1584.747868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.747868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.747868 (E_RNA) where: Base-Base interactions energy: -1036.226 where: short stacking energy: -450.713 Base-Backbone interact. energy: -1.452 local terms energy: -547.069130 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -124.440 flat angles P-C4'-P energy: -83.235 tors. eta vs tors. theta energy: -124.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1433.297820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.297820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.297820 (E_RNA) where: Base-Base interactions energy: -932.634 where: short stacking energy: -427.108 Base-Backbone interact. energy: -2.406 local terms energy: -498.258332 where: bonds (distance) C4'-P energy: -102.958 bonds (distance) P-C4' energy: -114.260 flat angles C4'-P-C4' energy: -115.429 flat angles P-C4'-P energy: -73.417 tors. eta vs tors. theta energy: -92.194 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: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1244.007306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.007306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.007306 (E_RNA) where: Base-Base interactions energy: -793.013 where: short stacking energy: -349.716 Base-Backbone interact. energy: -2.269 local terms energy: -448.725704 where: bonds (distance) C4'-P energy: -88.304 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -100.535 flat angles P-C4'-P energy: -72.977 tors. eta vs tors. theta energy: -94.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -976.705225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.705225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.705225 (E_RNA) where: Base-Base interactions energy: -594.311 where: short stacking energy: -280.114 Base-Backbone interact. energy: -2.348 local terms energy: -380.046668 where: bonds (distance) C4'-P energy: -81.043 bonds (distance) P-C4' energy: -108.971 flat angles C4'-P-C4' energy: -88.527 flat angles P-C4'-P energy: -60.859 tors. eta vs tors. theta energy: -40.648 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: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -786.984507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.984507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.984507 (E_RNA) where: Base-Base interactions energy: -432.612 where: short stacking energy: -214.157 Base-Backbone interact. energy: -2.121 local terms energy: -352.252140 where: bonds (distance) C4'-P energy: -102.164 bonds (distance) P-C4' energy: -101.072 flat angles C4'-P-C4' energy: -91.383 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: -13.240 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: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -555.071102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.071102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.071102 (E_RNA) where: Base-Base interactions energy: -259.937 where: short stacking energy: -170.150 Base-Backbone interact. energy: -0.514 local terms energy: -294.619494 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -100.603 flat angles C4'-P-C4' energy: -74.628 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2063.369499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.369499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.369499 (E_RNA) where: Base-Base interactions energy: -1427.157 where: short stacking energy: -590.080 Base-Backbone interact. energy: -4.964 local terms energy: -631.248637 where: bonds (distance) C4'-P energy: -107.686 bonds (distance) P-C4' energy: -110.980 flat angles C4'-P-C4' energy: -138.999 flat angles P-C4'-P energy: -99.455 tors. eta vs tors. theta energy: -174.128 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: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1987.184141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.184141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.184141 (E_RNA) where: Base-Base interactions energy: -1385.965 where: short stacking energy: -577.047 Base-Backbone interact. energy: -3.994 local terms energy: -597.225746 where: bonds (distance) C4'-P energy: -106.943 bonds (distance) P-C4' energy: -116.969 flat angles C4'-P-C4' energy: -139.622 flat angles P-C4'-P energy: -81.778 tors. eta vs tors. theta energy: -151.914 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: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1901.443766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.443766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.443766 (E_RNA) where: Base-Base interactions energy: -1303.222 where: short stacking energy: -526.203 Base-Backbone interact. energy: -3.502 local terms energy: -594.719614 where: bonds (distance) C4'-P energy: -105.605 bonds (distance) P-C4' energy: -118.047 flat angles C4'-P-C4' energy: -120.853 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -162.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1672.580923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.580923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.580923 (E_RNA) where: Base-Base interactions energy: -1115.547 where: short stacking energy: -486.023 Base-Backbone interact. energy: -4.376 local terms energy: -552.658193 where: bonds (distance) C4'-P energy: -108.760 bonds (distance) P-C4' energy: -115.694 flat angles C4'-P-C4' energy: -121.286 flat angles P-C4'-P energy: -74.310 tors. eta vs tors. theta energy: -132.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1562.490517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.490517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.490517 (E_RNA) where: Base-Base interactions energy: -1052.497 where: short stacking energy: -482.397 Base-Backbone interact. energy: 2.767 local terms energy: -512.760841 where: bonds (distance) C4'-P energy: -91.691 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -118.126 flat angles P-C4'-P energy: -77.048 tors. eta vs tors. theta energy: -121.106 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: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1399.325445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.325445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.325445 (E_RNA) where: Base-Base interactions energy: -896.765 where: short stacking energy: -405.697 Base-Backbone interact. energy: -1.802 local terms energy: -500.759403 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -120.476 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -84.588 tors. eta vs tors. theta energy: -102.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1079.546131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.546131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.546131 (E_RNA) where: Base-Base interactions energy: -658.097 where: short stacking energy: -332.775 Base-Backbone interact. energy: -2.442 local terms energy: -419.007080 where: bonds (distance) C4'-P energy: -96.734 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -94.916 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -65.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1184.440483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.440483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.440483 (E_RNA) where: Base-Base interactions energy: -764.880 where: short stacking energy: -337.154 Base-Backbone interact. energy: 2.776 local terms energy: -422.335767 where: bonds (distance) C4'-P energy: -100.471 bonds (distance) P-C4' energy: -98.669 flat angles C4'-P-C4' energy: -93.379 flat angles P-C4'-P energy: -60.496 tors. eta vs tors. theta energy: -69.321 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: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -790.887015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.887015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.887015 (E_RNA) where: Base-Base interactions energy: -418.657 where: short stacking energy: -232.612 Base-Backbone interact. energy: 1.140 local terms energy: -373.369927 where: bonds (distance) C4'-P energy: -96.561 bonds (distance) P-C4' energy: -92.139 flat angles C4'-P-C4' energy: -84.920 flat angles P-C4'-P energy: -54.688 tors. eta vs tors. theta energy: -45.061 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -512.990388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.990388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.990388 (E_RNA) where: Base-Base interactions energy: -215.124 where: short stacking energy: -131.263 Base-Backbone interact. energy: -4.197 local terms energy: -293.668665 where: bonds (distance) C4'-P energy: -93.273 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -72.352 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: 23.556 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: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2077.372244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.372244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.372244 (E_RNA) where: Base-Base interactions energy: -1434.792 where: short stacking energy: -579.042 Base-Backbone interact. energy: -0.450 local terms energy: -642.130889 where: bonds (distance) C4'-P energy: -116.766 bonds (distance) P-C4' energy: -126.315 flat angles C4'-P-C4' energy: -139.711 flat angles P-C4'-P energy: -87.597 tors. eta vs tors. theta energy: -171.742 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: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1992.131898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.131898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.131898 (E_RNA) where: Base-Base interactions energy: -1405.625 where: short stacking energy: -556.990 Base-Backbone interact. energy: -3.982 local terms energy: -582.524512 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -118.919 flat angles C4'-P-C4' energy: -124.274 flat angles P-C4'-P energy: -86.737 tors. eta vs tors. theta energy: -149.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1877.487846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.487846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.487846 (E_RNA) where: Base-Base interactions energy: -1255.262 where: short stacking energy: -552.415 Base-Backbone interact. energy: -3.226 local terms energy: -618.999029 where: bonds (distance) C4'-P energy: -117.035 bonds (distance) P-C4' energy: -117.804 flat angles C4'-P-C4' energy: -127.977 flat angles P-C4'-P energy: -88.814 tors. eta vs tors. theta energy: -167.368 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: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1707.555990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.555990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.555990 (E_RNA) where: Base-Base interactions energy: -1167.433 where: short stacking energy: -490.853 Base-Backbone interact. energy: -1.951 local terms energy: -538.172023 where: bonds (distance) C4'-P energy: -108.705 bonds (distance) P-C4' energy: -93.647 flat angles C4'-P-C4' energy: -116.135 flat angles P-C4'-P energy: -80.391 tors. eta vs tors. theta energy: -139.293 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: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1546.197058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.197058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.197058 (E_RNA) where: Base-Base interactions energy: -1023.588 where: short stacking energy: -428.718 Base-Backbone interact. energy: 0.250 local terms energy: -522.859366 where: bonds (distance) C4'-P energy: -110.137 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -117.249 flat angles P-C4'-P energy: -77.310 tors. eta vs tors. theta energy: -119.938 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: 6, replica: 8 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1428.703863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.703863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.703863 (E_RNA) where: Base-Base interactions energy: -953.082 where: short stacking energy: -420.277 Base-Backbone interact. energy: -1.278 local terms energy: -474.344111 where: bonds (distance) C4'-P energy: -96.952 bonds (distance) P-C4' energy: -97.129 flat angles C4'-P-C4' energy: -113.226 flat angles P-C4'-P energy: -70.557 tors. eta vs tors. theta energy: -96.480 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: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1117.696434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.696434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.696434 (E_RNA) where: Base-Base interactions energy: -672.938 where: short stacking energy: -314.091 Base-Backbone interact. energy: -2.098 local terms energy: -442.660790 where: bonds (distance) C4'-P energy: -111.265 bonds (distance) P-C4' energy: -113.100 flat angles C4'-P-C4' energy: -90.848 flat angles P-C4'-P energy: -69.683 tors. eta vs tors. theta energy: -57.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1151.294429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.294429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.294429 (E_RNA) where: Base-Base interactions energy: -722.861 where: short stacking energy: -347.119 Base-Backbone interact. energy: 3.240 local terms energy: -431.673040 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -91.318 flat angles C4'-P-C4' energy: -92.811 flat angles P-C4'-P energy: -60.256 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: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -771.947887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.947887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.947887 (E_RNA) where: Base-Base interactions energy: -407.857 where: short stacking energy: -204.088 Base-Backbone interact. energy: -2.817 local terms energy: -361.273745 where: bonds (distance) C4'-P energy: -93.998 bonds (distance) P-C4' energy: -100.752 flat angles C4'-P-C4' energy: -87.431 flat angles P-C4'-P energy: -62.936 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -442.640572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.640572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.640572 (E_RNA) where: Base-Base interactions energy: -124.211 where: short stacking energy: -104.539 Base-Backbone interact. energy: -1.373 local terms energy: -317.055712 where: bonds (distance) C4'-P energy: -99.418 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -79.238 flat angles P-C4'-P energy: -57.031 tors. eta vs tors. theta energy: 23.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2057.446310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.446310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.446310 (E_RNA) where: Base-Base interactions energy: -1427.184 where: short stacking energy: -626.984 Base-Backbone interact. energy: -2.133 local terms energy: -628.128471 where: bonds (distance) C4'-P energy: -106.227 bonds (distance) P-C4' energy: -122.687 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -81.524 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: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2000.135137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.135137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.135137 (E_RNA) where: Base-Base interactions energy: -1394.273 where: short stacking energy: -593.752 Base-Backbone interact. energy: -3.082 local terms energy: -602.780605 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -109.819 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -91.246 tors. eta vs tors. theta energy: -166.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1858.416566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.416566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.416566 (E_RNA) where: Base-Base interactions energy: -1273.325 where: short stacking energy: -541.270 Base-Backbone interact. energy: -4.619 local terms energy: -580.472765 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -117.926 flat angles C4'-P-C4' energy: -136.821 flat angles P-C4'-P energy: -76.050 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: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1730.820932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.820932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.820932 (E_RNA) where: Base-Base interactions energy: -1142.465 where: short stacking energy: -507.111 Base-Backbone interact. energy: 1.365 local terms energy: -589.720168 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -73.755 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: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1564.810687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.810687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.810687 (E_RNA) where: Base-Base interactions energy: -1014.824 where: short stacking energy: -446.558 Base-Backbone interact. energy: -2.679 local terms energy: -547.307245 where: bonds (distance) C4'-P energy: -98.782 bonds (distance) P-C4' energy: -112.071 flat angles C4'-P-C4' energy: -132.883 flat angles P-C4'-P energy: -70.599 tors. eta vs tors. theta energy: -132.972 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: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1486.688665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.688665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.688665 (E_RNA) where: Base-Base interactions energy: -987.127 where: short stacking energy: -428.710 Base-Backbone interact. energy: -0.379 local terms energy: -499.182771 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -110.837 flat angles C4'-P-C4' energy: -95.346 flat angles P-C4'-P energy: -69.501 tors. eta vs tors. theta energy: -107.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1212.453508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.453508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.453508 (E_RNA) where: Base-Base interactions energy: -760.585 where: short stacking energy: -327.556 Base-Backbone interact. energy: 8.200 local terms energy: -460.068056 where: bonds (distance) C4'-P energy: -113.330 bonds (distance) P-C4' energy: -110.318 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: -67.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1067.142486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.142486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.142486 (E_RNA) where: Base-Base interactions energy: -656.556 where: short stacking energy: -309.366 Base-Backbone interact. energy: -2.038 local terms energy: -408.547895 where: bonds (distance) C4'-P energy: -85.305 bonds (distance) P-C4' energy: -96.459 flat angles C4'-P-C4' energy: -86.017 flat angles P-C4'-P energy: -70.523 tors. eta vs tors. theta energy: -70.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -795.747237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.747237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.747237 (E_RNA) where: Base-Base interactions energy: -429.193 where: short stacking energy: -222.281 Base-Backbone interact. energy: 1.451 local terms energy: -368.005647 where: bonds (distance) C4'-P energy: -99.217 bonds (distance) P-C4' energy: -97.893 flat angles C4'-P-C4' energy: -93.141 flat angles P-C4'-P energy: -56.800 tors. eta vs tors. theta energy: -20.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -473.485512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.485512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.485512 (E_RNA) where: Base-Base interactions energy: -182.636 where: short stacking energy: -147.879 Base-Backbone interact. energy: -1.088 local terms energy: -289.761600 where: bonds (distance) C4'-P energy: -83.321 bonds (distance) P-C4' energy: -103.269 flat angles C4'-P-C4' energy: -87.871 flat angles P-C4'-P energy: -29.197 tors. eta vs tors. theta energy: 13.896 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: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2104.642445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.642445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.642445 (E_RNA) where: Base-Base interactions energy: -1462.700 where: short stacking energy: -619.309 Base-Backbone interact. energy: -2.865 local terms energy: -639.077102 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -120.065 flat angles C4'-P-C4' energy: -136.470 flat angles P-C4'-P energy: -90.044 tors. eta vs tors. theta energy: -181.630 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: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1986.431138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.431138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.431138 (E_RNA) where: Base-Base interactions energy: -1348.918 where: short stacking energy: -576.838 Base-Backbone interact. energy: -3.087 local terms energy: -634.427015 where: bonds (distance) C4'-P energy: -121.537 bonds (distance) P-C4' energy: -127.415 flat angles C4'-P-C4' energy: -132.555 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -161.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1886.949898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.949898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.949898 (E_RNA) where: Base-Base interactions energy: -1300.573 where: short stacking energy: -563.382 Base-Backbone interact. energy: -3.283 local terms energy: -583.094453 where: bonds (distance) C4'-P energy: -104.136 bonds (distance) P-C4' energy: -103.934 flat angles C4'-P-C4' energy: -125.816 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -173.006 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: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1769.116302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.116302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.116302 (E_RNA) where: Base-Base interactions energy: -1226.497 where: short stacking energy: -525.429 Base-Backbone interact. energy: -0.075 local terms energy: -542.544480 where: bonds (distance) C4'-P energy: -110.786 bonds (distance) P-C4' energy: -98.937 flat angles C4'-P-C4' energy: -127.466 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -137.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1620.764516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.764516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.764516 (E_RNA) where: Base-Base interactions energy: -1061.687 where: short stacking energy: -474.375 Base-Backbone interact. energy: -1.228 local terms energy: -557.849854 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -120.393 flat angles C4'-P-C4' energy: -122.635 flat angles P-C4'-P energy: -76.189 tors. eta vs tors. theta energy: -134.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1506.483412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.483412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.483412 (E_RNA) where: Base-Base interactions energy: -1030.103 where: short stacking energy: -457.670 Base-Backbone interact. energy: -1.977 local terms energy: -474.403431 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -105.138 flat angles C4'-P-C4' energy: -103.705 flat angles P-C4'-P energy: -61.469 tors. eta vs tors. theta energy: -105.821 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: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1242.930116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.930116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.930116 (E_RNA) where: Base-Base interactions energy: -788.828 where: short stacking energy: -336.317 Base-Backbone interact. energy: -0.654 local terms energy: -453.447832 where: bonds (distance) C4'-P energy: -107.621 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -114.467 flat angles P-C4'-P energy: -67.067 tors. eta vs tors. theta energy: -76.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1086.885936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.885936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.885936 (E_RNA) where: Base-Base interactions energy: -651.516 where: short stacking energy: -308.006 Base-Backbone interact. energy: 0.085 local terms energy: -435.455061 where: bonds (distance) C4'-P energy: -81.840 bonds (distance) P-C4' energy: -114.378 flat angles C4'-P-C4' energy: -105.506 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -63.431 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: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -801.432030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.432030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.432030 (E_RNA) where: Base-Base interactions energy: -433.288 where: short stacking energy: -216.178 Base-Backbone interact. energy: -2.208 local terms energy: -365.935997 where: bonds (distance) C4'-P energy: -99.105 bonds (distance) P-C4' energy: -107.967 flat angles C4'-P-C4' energy: -91.226 flat angles P-C4'-P energy: -54.832 tors. eta vs tors. theta energy: -12.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -463.518917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.518917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.518917 (E_RNA) where: Base-Base interactions energy: -176.305 where: short stacking energy: -140.406 Base-Backbone interact. energy: 1.892 local terms energy: -289.106117 where: bonds (distance) C4'-P energy: -96.036 bonds (distance) P-C4' energy: -87.596 flat angles C4'-P-C4' energy: -99.104 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: 40.831 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: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2086.673154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.673154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.673154 (E_RNA) where: Base-Base interactions energy: -1436.916 where: short stacking energy: -607.740 Base-Backbone interact. energy: -1.509 local terms energy: -648.247983 where: bonds (distance) C4'-P energy: -120.906 bonds (distance) P-C4' energy: -115.562 flat angles C4'-P-C4' energy: -141.725 flat angles P-C4'-P energy: -93.213 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: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1993.127839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.127839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.127839 (E_RNA) where: Base-Base interactions energy: -1378.237 where: short stacking energy: -566.415 Base-Backbone interact. energy: -0.383 local terms energy: -614.507949 where: bonds (distance) C4'-P energy: -115.204 bonds (distance) P-C4' energy: -114.280 flat angles C4'-P-C4' energy: -130.709 flat angles P-C4'-P energy: -86.770 tors. eta vs tors. theta energy: -167.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1908.067242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.067242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.067242 (E_RNA) where: Base-Base interactions energy: -1308.228 where: short stacking energy: -560.094 Base-Backbone interact. energy: -2.406 local terms energy: -597.433202 where: bonds (distance) C4'-P energy: -107.048 bonds (distance) P-C4' energy: -101.432 flat angles C4'-P-C4' energy: -128.438 flat angles P-C4'-P energy: -81.396 tors. eta vs tors. theta energy: -179.119 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: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1752.401799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.401799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.401799 (E_RNA) where: Base-Base interactions energy: -1218.083 where: short stacking energy: -526.374 Base-Backbone interact. energy: -1.822 local terms energy: -532.496244 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -101.443 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -140.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1595.342951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.342951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.342951 (E_RNA) where: Base-Base interactions energy: -1112.032 where: short stacking energy: -476.128 Base-Backbone interact. energy: 0.727 local terms energy: -484.037816 where: bonds (distance) C4'-P energy: -83.171 bonds (distance) P-C4' energy: -96.336 flat angles C4'-P-C4' energy: -115.916 flat angles P-C4'-P energy: -76.823 tors. eta vs tors. theta energy: -111.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1486.917693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.917693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.917693 (E_RNA) where: Base-Base interactions energy: -982.327 where: short stacking energy: -426.511 Base-Backbone interact. energy: -3.116 local terms energy: -501.474363 where: bonds (distance) C4'-P energy: -114.742 bonds (distance) P-C4' energy: -99.905 flat angles C4'-P-C4' energy: -118.729 flat angles P-C4'-P energy: -65.369 tors. eta vs tors. theta energy: -102.729 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: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1204.257751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.257751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.257751 (E_RNA) where: Base-Base interactions energy: -738.901 where: short stacking energy: -380.048 Base-Backbone interact. energy: -2.961 local terms energy: -462.394959 where: bonds (distance) C4'-P energy: -105.994 bonds (distance) P-C4' energy: -116.273 flat angles C4'-P-C4' energy: -102.229 flat angles P-C4'-P energy: -59.676 tors. eta vs tors. theta energy: -78.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1038.647797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.647797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.647797 (E_RNA) where: Base-Base interactions energy: -639.316 where: short stacking energy: -296.872 Base-Backbone interact. energy: 0.650 local terms energy: -399.982220 where: bonds (distance) C4'-P energy: -90.228 bonds (distance) P-C4' energy: -118.070 flat angles C4'-P-C4' energy: -103.139 flat angles P-C4'-P energy: -47.449 tors. eta vs tors. theta energy: -41.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -805.668532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.668532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.668532 (E_RNA) where: Base-Base interactions energy: -435.947 where: short stacking energy: -225.523 Base-Backbone interact. energy: 0.697 local terms energy: -370.418136 where: bonds (distance) C4'-P energy: -88.961 bonds (distance) P-C4' energy: -103.535 flat angles C4'-P-C4' energy: -95.935 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -21.358 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: 134 Temperature: 1.350000 Total energy: -549.387165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.387165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.387165 (E_RNA) where: Base-Base interactions energy: -266.200 where: short stacking energy: -139.840 Base-Backbone interact. energy: 0.254 local terms energy: -283.441603 where: bonds (distance) C4'-P energy: -85.689 bonds (distance) P-C4' energy: -103.205 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -31.172 tors. eta vs tors. theta energy: 12.644 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: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2095.275171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.275171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.275171 (E_RNA) where: Base-Base interactions energy: -1455.394 where: short stacking energy: -602.639 Base-Backbone interact. energy: 0.526 local terms energy: -640.406417 where: bonds (distance) C4'-P energy: -117.362 bonds (distance) P-C4' energy: -116.820 flat angles C4'-P-C4' energy: -129.316 flat angles P-C4'-P energy: -85.528 tors. eta vs tors. theta energy: -191.381 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: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1994.672537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.672537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.672537 (E_RNA) where: Base-Base interactions energy: -1395.966 where: short stacking energy: -598.024 Base-Backbone interact. energy: -2.270 local terms energy: -596.436958 where: bonds (distance) C4'-P energy: -107.714 bonds (distance) P-C4' energy: -108.940 flat angles C4'-P-C4' energy: -131.979 flat angles P-C4'-P energy: -80.235 tors. eta vs tors. theta energy: -167.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1875.870105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.870105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.870105 (E_RNA) where: Base-Base interactions energy: -1276.706 where: short stacking energy: -536.567 Base-Backbone interact. energy: -1.729 local terms energy: -597.434685 where: bonds (distance) C4'-P energy: -91.790 bonds (distance) P-C4' energy: -124.814 flat angles C4'-P-C4' energy: -134.897 flat angles P-C4'-P energy: -94.485 tors. eta vs tors. theta energy: -151.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1723.251324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.251324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.251324 (E_RNA) where: Base-Base interactions energy: -1164.969 where: short stacking energy: -489.654 Base-Backbone interact. energy: 2.795 local terms energy: -561.077633 where: bonds (distance) C4'-P energy: -111.041 bonds (distance) P-C4' energy: -112.771 flat angles C4'-P-C4' energy: -119.250 flat angles P-C4'-P energy: -83.201 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: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1634.174512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.174512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.174512 (E_RNA) where: Base-Base interactions energy: -1097.642 where: short stacking energy: -461.470 Base-Backbone interact. energy: -1.176 local terms energy: -535.356363 where: bonds (distance) C4'-P energy: -95.715 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -119.108 flat angles P-C4'-P energy: -78.137 tors. eta vs tors. theta energy: -124.015 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: 8 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1474.873416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.873416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.873416 (E_RNA) where: Base-Base interactions energy: -995.110 where: short stacking energy: -414.903 Base-Backbone interact. energy: -2.257 local terms energy: -477.506262 where: bonds (distance) C4'-P energy: -109.881 bonds (distance) P-C4' energy: -102.349 flat angles C4'-P-C4' energy: -108.377 flat angles P-C4'-P energy: -61.460 tors. eta vs tors. theta energy: -95.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1228.094804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.094804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.094804 (E_RNA) where: Base-Base interactions energy: -766.678 where: short stacking energy: -352.549 Base-Backbone interact. energy: 0.887 local terms energy: -462.303768 where: bonds (distance) C4'-P energy: -80.682 bonds (distance) P-C4' energy: -105.628 flat angles C4'-P-C4' energy: -106.899 flat angles P-C4'-P energy: -73.663 tors. eta vs tors. theta energy: -95.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1026.483616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.483616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.483616 (E_RNA) where: Base-Base interactions energy: -615.987 where: short stacking energy: -288.848 Base-Backbone interact. energy: -0.467 local terms energy: -410.029388 where: bonds (distance) C4'-P energy: -95.398 bonds (distance) P-C4' energy: -95.981 flat angles C4'-P-C4' energy: -90.647 flat angles P-C4'-P energy: -83.026 tors. eta vs tors. theta energy: -44.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -813.881067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.881067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.881067 (E_RNA) where: Base-Base interactions energy: -428.430 where: short stacking energy: -206.925 Base-Backbone interact. energy: -4.300 local terms energy: -381.151109 where: bonds (distance) C4'-P energy: -99.497 bonds (distance) P-C4' energy: -105.728 flat angles C4'-P-C4' energy: -94.158 flat angles P-C4'-P energy: -54.854 tors. eta vs tors. theta energy: -26.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -545.534291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.534291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.534291 (E_RNA) where: Base-Base interactions energy: -257.285 where: short stacking energy: -136.834 Base-Backbone interact. energy: -0.851 local terms energy: -287.397394 where: bonds (distance) C4'-P energy: -73.646 bonds (distance) P-C4' energy: -91.278 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -55.111 tors. eta vs tors. theta energy: 17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2108.803184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.803184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.803184 (E_RNA) where: Base-Base interactions energy: -1460.348 where: short stacking energy: -596.416 Base-Backbone interact. energy: -0.787 local terms energy: -647.667954 where: bonds (distance) C4'-P energy: -126.079 bonds (distance) P-C4' energy: -117.903 flat angles C4'-P-C4' energy: -130.912 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -180.486 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: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1984.699226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.699226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.699226 (E_RNA) where: Base-Base interactions energy: -1374.054 where: short stacking energy: -581.523 Base-Backbone interact. energy: 0.170 local terms energy: -610.814982 where: bonds (distance) C4'-P energy: -124.738 bonds (distance) P-C4' energy: -120.046 flat angles C4'-P-C4' energy: -132.037 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -155.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1932.537462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.537462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.537462 (E_RNA) where: Base-Base interactions energy: -1334.788 where: short stacking energy: -571.706 Base-Backbone interact. energy: -4.659 local terms energy: -593.090704 where: bonds (distance) C4'-P energy: -103.623 bonds (distance) P-C4' energy: -116.145 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -80.678 tors. eta vs tors. theta energy: -165.971 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: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1701.903814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.903814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.903814 (E_RNA) where: Base-Base interactions energy: -1155.526 where: short stacking energy: -500.750 Base-Backbone interact. energy: -3.258 local terms energy: -543.120608 where: bonds (distance) C4'-P energy: -115.489 bonds (distance) P-C4' energy: -101.974 flat angles C4'-P-C4' energy: -119.262 flat angles P-C4'-P energy: -67.882 tors. eta vs tors. theta energy: -138.514 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: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1691.268853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.268853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.268853 (E_RNA) where: Base-Base interactions energy: -1139.065 where: short stacking energy: -496.376 Base-Backbone interact. energy: -4.043 local terms energy: -548.161388 where: bonds (distance) C4'-P energy: -104.428 bonds (distance) P-C4' energy: -100.181 flat angles C4'-P-C4' energy: -126.189 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: -140.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1339.131670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.131670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.131670 (E_RNA) where: Base-Base interactions energy: -890.379 where: short stacking energy: -375.122 Base-Backbone interact. energy: -0.747 local terms energy: -448.005376 where: bonds (distance) C4'-P energy: -103.302 bonds (distance) P-C4' energy: -93.506 flat angles C4'-P-C4' energy: -119.878 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -81.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1253.676025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.676025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.676025 (E_RNA) where: Base-Base interactions energy: -796.011 where: short stacking energy: -351.566 Base-Backbone interact. energy: -0.662 local terms energy: -457.002700 where: bonds (distance) C4'-P energy: -93.081 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -103.757 flat angles P-C4'-P energy: -66.819 tors. eta vs tors. theta energy: -88.914 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: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1015.430621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.430621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.430621 (E_RNA) where: Base-Base interactions energy: -575.865 where: short stacking energy: -269.562 Base-Backbone interact. energy: 3.964 local terms energy: -443.529240 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -130.809 flat angles C4'-P-C4' energy: -111.677 flat angles P-C4'-P energy: -64.236 tors. eta vs tors. theta energy: -47.030 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: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -862.927961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.927961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.927961 (E_RNA) where: Base-Base interactions energy: -507.371 where: short stacking energy: -246.876 Base-Backbone interact. energy: -3.299 local terms energy: -352.257265 where: bonds (distance) C4'-P energy: -95.319 bonds (distance) P-C4' energy: -96.798 flat angles C4'-P-C4' energy: -90.799 flat angles P-C4'-P energy: -44.340 tors. eta vs tors. theta energy: -25.001 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: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -565.694122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.694122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.694122 (E_RNA) where: Base-Base interactions energy: -272.370 where: short stacking energy: -158.854 Base-Backbone interact. energy: -2.835 local terms energy: -290.488977 where: bonds (distance) C4'-P energy: -84.989 bonds (distance) P-C4' energy: -90.935 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -35.361 tors. eta vs tors. theta energy: 4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2097.062265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.062265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.062265 (E_RNA) where: Base-Base interactions energy: -1444.309 where: short stacking energy: -624.248 Base-Backbone interact. energy: -3.268 local terms energy: -649.485050 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -128.775 flat angles C4'-P-C4' energy: -130.617 flat angles P-C4'-P energy: -85.540 tors. eta vs tors. theta energy: -186.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1976.040452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.040452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.040452 (E_RNA) where: Base-Base interactions energy: -1371.819 where: short stacking energy: -579.938 Base-Backbone interact. energy: -1.508 local terms energy: -602.713176 where: bonds (distance) C4'-P energy: -121.595 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: -157.634 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: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1911.483091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.483091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.483091 (E_RNA) where: Base-Base interactions energy: -1301.689 where: short stacking energy: -548.423 Base-Backbone interact. energy: -5.310 local terms energy: -604.483494 where: bonds (distance) C4'-P energy: -105.620 bonds (distance) P-C4' energy: -117.030 flat angles C4'-P-C4' energy: -123.561 flat angles P-C4'-P energy: -83.734 tors. eta vs tors. theta energy: -174.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1694.577707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.577707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.577707 (E_RNA) where: Base-Base interactions energy: -1132.604 where: short stacking energy: -461.283 Base-Backbone interact. energy: -2.544 local terms energy: -559.429525 where: bonds (distance) C4'-P energy: -115.465 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -120.545 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -136.763 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: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1657.495812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.495812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.495812 (E_RNA) where: Base-Base interactions energy: -1102.734 where: short stacking energy: -475.724 Base-Backbone interact. energy: -2.388 local terms energy: -552.374179 where: bonds (distance) C4'-P energy: -98.021 bonds (distance) P-C4' energy: -119.551 flat angles C4'-P-C4' energy: -136.008 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -130.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1421.216092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.216092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.216092 (E_RNA) where: Base-Base interactions energy: -936.086 where: short stacking energy: -422.421 Base-Backbone interact. energy: -3.403 local terms energy: -481.727015 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -101.833 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: -93.443 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1169.521554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.521554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.521554 (E_RNA) where: Base-Base interactions energy: -760.299 where: short stacking energy: -340.204 Base-Backbone interact. energy: 2.549 local terms energy: -411.771672 where: bonds (distance) C4'-P energy: -97.917 bonds (distance) P-C4' energy: -94.130 flat angles C4'-P-C4' energy: -91.024 flat angles P-C4'-P energy: -61.356 tors. eta vs tors. theta energy: -67.344 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: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -998.726610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.726610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.726610 (E_RNA) where: Base-Base interactions energy: -600.784 where: short stacking energy: -284.104 Base-Backbone interact. energy: -3.802 local terms energy: -394.140540 where: bonds (distance) C4'-P energy: -107.287 bonds (distance) P-C4' energy: -93.465 flat angles C4'-P-C4' energy: -100.454 flat angles P-C4'-P energy: -52.191 tors. eta vs tors. theta energy: -40.743 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: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -845.043394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.043394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.043394 (E_RNA) where: Base-Base interactions energy: -461.097 where: short stacking energy: -245.001 Base-Backbone interact. energy: -6.082 local terms energy: -377.863873 where: bonds (distance) C4'-P energy: -84.750 bonds (distance) P-C4' energy: -97.663 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -55.858 tors. eta vs tors. theta energy: -37.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -604.251169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.251169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.251169 (E_RNA) where: Base-Base interactions energy: -283.606 where: short stacking energy: -146.435 Base-Backbone interact. energy: -2.523 local terms energy: -318.121650 where: bonds (distance) C4'-P energy: -95.964 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -83.623 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: 6.934 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: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2095.099375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.099375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.099375 (E_RNA) where: Base-Base interactions energy: -1452.556 where: short stacking energy: -597.158 Base-Backbone interact. energy: -2.562 local terms energy: -639.981783 where: bonds (distance) C4'-P energy: -118.480 bonds (distance) P-C4' energy: -128.846 flat angles C4'-P-C4' energy: -131.608 flat angles P-C4'-P energy: -89.581 tors. eta vs tors. theta energy: -171.466 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: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1989.050237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.050237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.050237 (E_RNA) where: Base-Base interactions energy: -1384.827 where: short stacking energy: -560.676 Base-Backbone interact. energy: -0.892 local terms energy: -603.331121 where: bonds (distance) C4'-P energy: -116.287 bonds (distance) P-C4' energy: -120.191 flat angles C4'-P-C4' energy: -127.066 flat angles P-C4'-P energy: -79.913 tors. eta vs tors. theta energy: -159.875 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: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1868.199807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.199807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.199807 (E_RNA) where: Base-Base interactions energy: -1276.086 where: short stacking energy: -542.615 Base-Backbone interact. energy: -3.066 local terms energy: -589.047445 where: bonds (distance) C4'-P energy: -108.297 bonds (distance) P-C4' energy: -116.587 flat angles C4'-P-C4' energy: -127.356 flat angles P-C4'-P energy: -81.106 tors. eta vs tors. theta energy: -155.702 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: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1752.811809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.811809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.811809 (E_RNA) where: Base-Base interactions energy: -1191.813 where: short stacking energy: -490.176 Base-Backbone interact. energy: -1.496 local terms energy: -559.502395 where: bonds (distance) C4'-P energy: -108.366 bonds (distance) P-C4' energy: -120.337 flat angles C4'-P-C4' energy: -112.833 flat angles P-C4'-P energy: -74.046 tors. eta vs tors. theta energy: -143.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1629.783816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.783816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.783816 (E_RNA) where: Base-Base interactions energy: -1075.572 where: short stacking energy: -481.618 Base-Backbone interact. energy: -2.506 local terms energy: -551.705958 where: bonds (distance) C4'-P energy: -107.242 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -123.276 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -132.693 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: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1387.345679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.345679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.345679 (E_RNA) where: Base-Base interactions energy: -892.960 where: short stacking energy: -420.628 Base-Backbone interact. energy: -1.276 local terms energy: -493.110476 where: bonds (distance) C4'-P energy: -96.245 bonds (distance) P-C4' energy: -97.661 flat angles C4'-P-C4' energy: -124.880 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: -102.212 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: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1230.404260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.404260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.404260 (E_RNA) where: Base-Base interactions energy: -780.724 where: short stacking energy: -378.917 Base-Backbone interact. energy: -2.900 local terms energy: -446.779637 where: bonds (distance) C4'-P energy: -108.644 bonds (distance) P-C4' energy: -95.964 flat angles C4'-P-C4' energy: -108.967 flat angles P-C4'-P energy: -50.645 tors. eta vs tors. theta energy: -82.558 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: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1028.804807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.804807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.804807 (E_RNA) where: Base-Base interactions energy: -608.908 where: short stacking energy: -306.776 Base-Backbone interact. energy: 5.096 local terms energy: -424.992950 where: bonds (distance) C4'-P energy: -98.262 bonds (distance) P-C4' energy: -103.099 flat angles C4'-P-C4' energy: -104.237 flat angles P-C4'-P energy: -61.939 tors. eta vs tors. theta energy: -57.456 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: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -861.190267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.190267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.190267 (E_RNA) where: Base-Base interactions energy: -485.630 where: short stacking energy: -239.240 Base-Backbone interact. energy: 0.077 local terms energy: -375.636879 where: bonds (distance) C4'-P energy: -100.575 bonds (distance) P-C4' energy: -101.662 flat angles C4'-P-C4' energy: -94.036 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: -21.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -622.717076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.717076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.717076 (E_RNA) where: Base-Base interactions energy: -301.640 where: short stacking energy: -170.752 Base-Backbone interact. energy: -0.308 local terms energy: -320.768933 where: bonds (distance) C4'-P energy: -88.559 bonds (distance) P-C4' energy: -120.054 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -6.665 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: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2102.451623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.451623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.451623 (E_RNA) where: Base-Base interactions energy: -1459.936 where: short stacking energy: -626.903 Base-Backbone interact. energy: -2.232 local terms energy: -640.283517 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -114.229 flat angles C4'-P-C4' energy: -129.774 flat angles P-C4'-P energy: -96.183 tors. eta vs tors. theta energy: -183.358 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: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2003.247985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.247985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.247985 (E_RNA) where: Base-Base interactions energy: -1399.455 where: short stacking energy: -560.758 Base-Backbone interact. energy: -6.289 local terms energy: -597.503584 where: bonds (distance) C4'-P energy: -118.061 bonds (distance) P-C4' energy: -110.174 flat angles C4'-P-C4' energy: -127.173 flat angles P-C4'-P energy: -90.998 tors. eta vs tors. theta energy: -151.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1896.320668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.320668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.320668 (E_RNA) where: Base-Base interactions energy: -1280.227 where: short stacking energy: -575.235 Base-Backbone interact. energy: -3.390 local terms energy: -612.703786 where: bonds (distance) C4'-P energy: -114.235 bonds (distance) P-C4' energy: -107.941 flat angles C4'-P-C4' energy: -126.713 flat angles P-C4'-P energy: -92.199 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: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1746.921584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.921584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.921584 (E_RNA) where: Base-Base interactions energy: -1204.753 where: short stacking energy: -497.740 Base-Backbone interact. energy: -1.242 local terms energy: -540.926440 where: bonds (distance) C4'-P energy: -90.600 bonds (distance) P-C4' energy: -102.680 flat angles C4'-P-C4' energy: -122.698 flat angles P-C4'-P energy: -82.981 tors. eta vs tors. theta energy: -141.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1674.012187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.012187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.012187 (E_RNA) where: Base-Base interactions energy: -1144.487 where: short stacking energy: -458.156 Base-Backbone interact. energy: -1.564 local terms energy: -527.961263 where: bonds (distance) C4'-P energy: -98.969 bonds (distance) P-C4' energy: -109.690 flat angles C4'-P-C4' energy: -101.331 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -143.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1374.826394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.826394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.826394 (E_RNA) where: Base-Base interactions energy: -878.734 where: short stacking energy: -425.932 Base-Backbone interact. energy: 5.774 local terms energy: -501.865576 where: bonds (distance) C4'-P energy: -107.174 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -105.218 flat angles P-C4'-P energy: -79.537 tors. eta vs tors. theta energy: -102.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1202.715534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.715534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.715534 (E_RNA) where: Base-Base interactions energy: -762.790 where: short stacking energy: -350.286 Base-Backbone interact. energy: -2.619 local terms energy: -437.305972 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -103.952 flat angles C4'-P-C4' energy: -101.848 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -76.082 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: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1028.103687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.103687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.103687 (E_RNA) where: Base-Base interactions energy: -632.541 where: short stacking energy: -321.141 Base-Backbone interact. energy: 2.237 local terms energy: -397.799613 where: bonds (distance) C4'-P energy: -101.422 bonds (distance) P-C4' energy: -96.829 flat angles C4'-P-C4' energy: -93.197 flat angles P-C4'-P energy: -56.257 tors. eta vs tors. theta energy: -50.095 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: 9, replica: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -803.091001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.091001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.091001 (E_RNA) where: Base-Base interactions energy: -445.649 where: short stacking energy: -226.033 Base-Backbone interact. energy: 2.891 local terms energy: -360.333050 where: bonds (distance) C4'-P energy: -87.609 bonds (distance) P-C4' energy: -107.214 flat angles C4'-P-C4' energy: -90.419 flat angles P-C4'-P energy: -54.304 tors. eta vs tors. theta energy: -20.787 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: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -586.852940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.852940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.852940 (E_RNA) where: Base-Base interactions energy: -279.718 where: short stacking energy: -173.918 Base-Backbone interact. energy: -2.914 local terms energy: -304.220886 where: bonds (distance) C4'-P energy: -95.270 bonds (distance) P-C4' energy: -97.913 flat angles C4'-P-C4' energy: -78.287 flat angles P-C4'-P energy: -42.034 tors. eta vs tors. theta energy: 9.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2094.556921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.556921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.556921 (E_RNA) where: Base-Base interactions energy: -1431.727 where: short stacking energy: -618.089 Base-Backbone interact. energy: -2.047 local terms energy: -660.783696 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -122.067 flat angles C4'-P-C4' energy: -130.621 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -187.543 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: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1993.269616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.269616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.269616 (E_RNA) where: Base-Base interactions energy: -1398.755 where: short stacking energy: -594.934 Base-Backbone interact. energy: -1.749 local terms energy: -592.765326 where: bonds (distance) C4'-P energy: -109.874 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -118.644 flat angles P-C4'-P energy: -80.790 tors. eta vs tors. theta energy: -170.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1900.485081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.485081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.485081 (E_RNA) where: Base-Base interactions energy: -1304.025 where: short stacking energy: -537.682 Base-Backbone interact. energy: -4.481 local terms energy: -591.979456 where: bonds (distance) C4'-P energy: -115.043 bonds (distance) P-C4' energy: -107.829 flat angles C4'-P-C4' energy: -124.143 flat angles P-C4'-P energy: -88.852 tors. eta vs tors. theta energy: -156.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1789.143258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.143258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.143258 (E_RNA) where: Base-Base interactions energy: -1238.281 where: short stacking energy: -507.244 Base-Backbone interact. energy: -5.524 local terms energy: -545.338352 where: bonds (distance) C4'-P energy: -115.706 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -113.224 flat angles P-C4'-P energy: -82.782 tors. eta vs tors. theta energy: -131.725 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: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1698.568156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.568156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.568156 (E_RNA) where: Base-Base interactions energy: -1168.460 where: short stacking energy: -485.150 Base-Backbone interact. energy: -5.045 local terms energy: -525.063367 where: bonds (distance) C4'-P energy: -100.941 bonds (distance) P-C4' energy: -111.464 flat angles C4'-P-C4' energy: -110.659 flat angles P-C4'-P energy: -62.617 tors. eta vs tors. theta energy: -139.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1371.550011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.550011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.550011 (E_RNA) where: Base-Base interactions energy: -916.530 where: short stacking energy: -411.961 Base-Backbone interact. energy: 3.948 local terms energy: -458.967781 where: bonds (distance) C4'-P energy: -83.626 bonds (distance) P-C4' energy: -96.670 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -72.577 tors. eta vs tors. theta energy: -100.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1180.772277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.772277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.772277 (E_RNA) where: Base-Base interactions energy: -758.346 where: short stacking energy: -356.444 Base-Backbone interact. energy: -1.377 local terms energy: -421.048698 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -99.576 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -59.783 tors. eta vs tors. theta energy: -86.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1056.003198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.003198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.003198 (E_RNA) where: Base-Base interactions energy: -654.994 where: short stacking energy: -291.885 Base-Backbone interact. energy: -0.182 local terms energy: -400.827767 where: bonds (distance) C4'-P energy: -109.299 bonds (distance) P-C4' energy: -104.003 flat angles C4'-P-C4' energy: -98.329 flat angles P-C4'-P energy: -58.938 tors. eta vs tors. theta energy: -30.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -820.950017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.950017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.950017 (E_RNA) where: Base-Base interactions energy: -433.342 where: short stacking energy: -244.743 Base-Backbone interact. energy: -0.758 local terms energy: -386.850149 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -113.215 flat angles C4'-P-C4' energy: -104.079 flat angles P-C4'-P energy: -49.747 tors. eta vs tors. theta energy: -28.451 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: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -593.314011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.314011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.314011 (E_RNA) where: Base-Base interactions energy: -305.766 where: short stacking energy: -170.083 Base-Backbone interact. energy: -1.845 local terms energy: -285.703726 where: bonds (distance) C4'-P energy: -88.561 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -81.820 flat angles P-C4'-P energy: -52.753 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: 141 Temperature: 0.900000 Total energy: -2097.926880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.926880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.926880 (E_RNA) where: Base-Base interactions energy: -1467.399 where: short stacking energy: -613.689 Base-Backbone interact. energy: -1.532 local terms energy: -628.995834 where: bonds (distance) C4'-P energy: -104.823 bonds (distance) P-C4' energy: -123.541 flat angles C4'-P-C4' energy: -132.656 flat angles P-C4'-P energy: -87.400 tors. eta vs tors. theta energy: -180.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1991.679521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.679521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.679521 (E_RNA) where: Base-Base interactions energy: -1401.072 where: short stacking energy: -585.131 Base-Backbone interact. energy: -0.869 local terms energy: -589.738781 where: bonds (distance) C4'-P energy: -107.603 bonds (distance) P-C4' energy: -107.280 flat angles C4'-P-C4' energy: -124.753 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -157.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1858.032491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.032491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.032491 (E_RNA) where: Base-Base interactions energy: -1256.529 where: short stacking energy: -573.692 Base-Backbone interact. energy: -2.823 local terms energy: -598.680283 where: bonds (distance) C4'-P energy: -101.254 bonds (distance) P-C4' energy: -120.113 flat angles C4'-P-C4' energy: -133.363 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -161.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1753.120517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.120517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.120517 (E_RNA) where: Base-Base interactions energy: -1179.924 where: short stacking energy: -505.089 Base-Backbone interact. energy: -2.497 local terms energy: -570.699712 where: bonds (distance) C4'-P energy: -100.994 bonds (distance) P-C4' energy: -101.685 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -85.374 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: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1673.500339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.500339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.500339 (E_RNA) where: Base-Base interactions energy: -1135.194 where: short stacking energy: -464.120 Base-Backbone interact. energy: -2.179 local terms energy: -536.127439 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -107.091 flat angles C4'-P-C4' energy: -117.700 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -136.515 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: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1425.305830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.305830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.305830 (E_RNA) where: Base-Base interactions energy: -919.652 where: short stacking energy: -429.247 Base-Backbone interact. energy: -0.342 local terms energy: -505.312189 where: bonds (distance) C4'-P energy: -101.369 bonds (distance) P-C4' energy: -109.437 flat angles C4'-P-C4' energy: -113.125 flat angles P-C4'-P energy: -72.269 tors. eta vs tors. theta energy: -109.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1220.305986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.305986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.305986 (E_RNA) where: Base-Base interactions energy: -760.084 where: short stacking energy: -334.812 Base-Backbone interact. energy: -4.351 local terms energy: -455.870193 where: bonds (distance) C4'-P energy: -95.310 bonds (distance) P-C4' energy: -103.739 flat angles C4'-P-C4' energy: -105.454 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -75.312 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: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1032.256238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.256238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.256238 (E_RNA) where: Base-Base interactions energy: -623.264 where: short stacking energy: -288.850 Base-Backbone interact. energy: -1.753 local terms energy: -407.238462 where: bonds (distance) C4'-P energy: -102.686 bonds (distance) P-C4' energy: -100.664 flat angles C4'-P-C4' energy: -91.831 flat angles P-C4'-P energy: -66.868 tors. eta vs tors. theta energy: -45.189 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: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -845.654876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.654876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.654876 (E_RNA) where: Base-Base interactions energy: -472.872 where: short stacking energy: -258.176 Base-Backbone interact. energy: 0.445 local terms energy: -373.227311 where: bonds (distance) C4'-P energy: -91.733 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -85.586 flat angles P-C4'-P energy: -58.373 tors. eta vs tors. theta energy: -34.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -626.155157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.155157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.155157 (E_RNA) where: Base-Base interactions energy: -317.182 where: short stacking energy: -160.600 Base-Backbone interact. energy: 3.731 local terms energy: -312.704816 where: bonds (distance) C4'-P energy: -100.875 bonds (distance) P-C4' energy: -87.889 flat angles C4'-P-C4' energy: -77.794 flat angles P-C4'-P energy: -50.297 tors. eta vs tors. theta energy: 4.151 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: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2077.147322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.147322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.147322 (E_RNA) where: Base-Base interactions energy: -1423.880 where: short stacking energy: -600.633 Base-Backbone interact. energy: -1.576 local terms energy: -651.691276 where: bonds (distance) C4'-P energy: -115.732 bonds (distance) P-C4' energy: -124.540 flat angles C4'-P-C4' energy: -137.759 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -178.153 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: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1937.091873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.091873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.091873 (E_RNA) where: Base-Base interactions energy: -1332.788 where: short stacking energy: -556.437 Base-Backbone interact. energy: -1.354 local terms energy: -602.949806 where: bonds (distance) C4'-P energy: -111.980 bonds (distance) P-C4' energy: -119.471 flat angles C4'-P-C4' energy: -135.488 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -155.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1904.561883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.561883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.561883 (E_RNA) where: Base-Base interactions energy: -1283.064 where: short stacking energy: -541.416 Base-Backbone interact. energy: -5.571 local terms energy: -615.927095 where: bonds (distance) C4'-P energy: -120.831 bonds (distance) P-C4' energy: -120.667 flat angles C4'-P-C4' energy: -132.516 flat angles P-C4'-P energy: -80.994 tors. eta vs tors. theta energy: -160.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1736.536017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.536017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.536017 (E_RNA) where: Base-Base interactions energy: -1156.757 where: short stacking energy: -497.203 Base-Backbone interact. energy: -1.331 local terms energy: -578.448314 where: bonds (distance) C4'-P energy: -97.880 bonds (distance) P-C4' energy: -115.824 flat angles C4'-P-C4' energy: -134.364 flat angles P-C4'-P energy: -78.129 tors. eta vs tors. theta energy: -152.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1695.193564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.193564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.193564 (E_RNA) where: Base-Base interactions energy: -1150.373 where: short stacking energy: -472.051 Base-Backbone interact. energy: -1.017 local terms energy: -543.803344 where: bonds (distance) C4'-P energy: -106.331 bonds (distance) P-C4' energy: -102.526 flat angles C4'-P-C4' energy: -122.410 flat angles P-C4'-P energy: -76.192 tors. eta vs tors. theta energy: -136.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1434.545945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.545945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.545945 (E_RNA) where: Base-Base interactions energy: -930.643 where: short stacking energy: -435.633 Base-Backbone interact. energy: 1.135 local terms energy: -505.038304 where: bonds (distance) C4'-P energy: -85.280 bonds (distance) P-C4' energy: -120.869 flat angles C4'-P-C4' energy: -114.647 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -103.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1187.247202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.247202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.247202 (E_RNA) where: Base-Base interactions energy: -744.645 where: short stacking energy: -366.972 Base-Backbone interact. energy: -4.080 local terms energy: -438.522719 where: bonds (distance) C4'-P energy: -95.904 bonds (distance) P-C4' energy: -99.814 flat angles C4'-P-C4' energy: -93.680 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -83.232 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: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1013.464706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.464706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.464706 (E_RNA) where: Base-Base interactions energy: -617.664 where: short stacking energy: -287.752 Base-Backbone interact. energy: 2.807 local terms energy: -398.608220 where: bonds (distance) C4'-P energy: -93.642 bonds (distance) P-C4' energy: -89.371 flat angles C4'-P-C4' energy: -98.114 flat angles P-C4'-P energy: -71.641 tors. eta vs tors. theta energy: -45.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -798.915402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.915402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.915402 (E_RNA) where: Base-Base interactions energy: -449.552 where: short stacking energy: -205.171 Base-Backbone interact. energy: -3.178 local terms energy: -346.185158 where: bonds (distance) C4'-P energy: -87.715 bonds (distance) P-C4' energy: -108.097 flat angles C4'-P-C4' energy: -98.641 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -625.788739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.788739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.788739 (E_RNA) where: Base-Base interactions energy: -312.031 where: short stacking energy: -163.321 Base-Backbone interact. energy: -1.277 local terms energy: -312.480942 where: bonds (distance) C4'-P energy: -93.287 bonds (distance) P-C4' energy: -101.239 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -45.301 tors. eta vs tors. theta energy: 0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2095.241429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.241429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.241429 (E_RNA) where: Base-Base interactions energy: -1448.298 where: short stacking energy: -612.563 Base-Backbone interact. energy: -0.610 local terms energy: -646.333959 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -111.256 flat angles C4'-P-C4' energy: -138.148 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -179.662 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: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1968.203555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.203555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.203555 (E_RNA) where: Base-Base interactions energy: -1353.346 where: short stacking energy: -579.498 Base-Backbone interact. energy: -5.032 local terms energy: -609.824900 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -106.533 flat angles C4'-P-C4' energy: -135.835 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: -156.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1913.218366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.218366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.218366 (E_RNA) where: Base-Base interactions energy: -1305.271 where: short stacking energy: -561.177 Base-Backbone interact. energy: -2.111 local terms energy: -605.835633 where: bonds (distance) C4'-P energy: -121.421 bonds (distance) P-C4' energy: -95.337 flat angles C4'-P-C4' energy: -136.275 flat angles P-C4'-P energy: -86.704 tors. eta vs tors. theta energy: -166.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1754.434286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.434286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.434286 (E_RNA) where: Base-Base interactions energy: -1181.681 where: short stacking energy: -496.059 Base-Backbone interact. energy: -1.602 local terms energy: -571.151387 where: bonds (distance) C4'-P energy: -107.452 bonds (distance) P-C4' energy: -127.173 flat angles C4'-P-C4' energy: -138.823 flat angles P-C4'-P energy: -69.206 tors. eta vs tors. theta energy: -128.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1646.820491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.820491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.820491 (E_RNA) where: Base-Base interactions energy: -1122.054 where: short stacking energy: -474.669 Base-Backbone interact. energy: -1.729 local terms energy: -523.036542 where: bonds (distance) C4'-P energy: -107.889 bonds (distance) P-C4' energy: -104.482 flat angles C4'-P-C4' energy: -122.041 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -117.180 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: 143 Temperature: 1.150000 Total energy: -1485.377378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.377378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.377378 (E_RNA) where: Base-Base interactions energy: -994.568 where: short stacking energy: -415.383 Base-Backbone interact. energy: -2.784 local terms energy: -488.025562 where: bonds (distance) C4'-P energy: -103.304 bonds (distance) P-C4' energy: -104.066 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -78.980 tors. eta vs tors. theta energy: -101.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1175.837830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.837830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.837830 (E_RNA) where: Base-Base interactions energy: -727.682 where: short stacking energy: -338.190 Base-Backbone interact. energy: -1.509 local terms energy: -446.646254 where: bonds (distance) C4'-P energy: -115.772 bonds (distance) P-C4' energy: -84.414 flat angles C4'-P-C4' energy: -114.795 flat angles P-C4'-P energy: -60.795 tors. eta vs tors. theta energy: -70.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1045.066175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.066175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.066175 (E_RNA) where: Base-Base interactions energy: -637.649 where: short stacking energy: -312.350 Base-Backbone interact. energy: 0.163 local terms energy: -407.580827 where: bonds (distance) C4'-P energy: -93.531 bonds (distance) P-C4' energy: -116.075 flat angles C4'-P-C4' energy: -86.834 flat angles P-C4'-P energy: -63.371 tors. eta vs tors. theta energy: -47.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -761.740719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.740719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.740719 (E_RNA) where: Base-Base interactions energy: -431.995 where: short stacking energy: -211.322 Base-Backbone interact. energy: -0.064 local terms energy: -329.681455 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -109.328 flat angles C4'-P-C4' energy: -87.535 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: 7.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -670.993185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.993185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.993185 (E_RNA) where: Base-Base interactions energy: -337.561 where: short stacking energy: -201.254 Base-Backbone interact. energy: 0.877 local terms energy: -334.308619 where: bonds (distance) C4'-P energy: -99.910 bonds (distance) P-C4' energy: -100.750 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -43.393 tors. eta vs tors. theta energy: -0.641 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: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2101.449032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.449032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.449032 (E_RNA) where: Base-Base interactions energy: -1434.277 where: short stacking energy: -608.341 Base-Backbone interact. energy: -0.839 local terms energy: -666.332438 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -121.090 flat angles C4'-P-C4' energy: -146.543 flat angles P-C4'-P energy: -94.891 tors. eta vs tors. theta energy: -184.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1966.619931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.619931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.619931 (E_RNA) where: Base-Base interactions energy: -1349.956 where: short stacking energy: -572.319 Base-Backbone interact. energy: -3.193 local terms energy: -613.470171 where: bonds (distance) C4'-P energy: -117.050 bonds (distance) P-C4' energy: -128.130 flat angles C4'-P-C4' energy: -127.241 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -166.879 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: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1908.012860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.012860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.012860 (E_RNA) where: Base-Base interactions energy: -1315.816 where: short stacking energy: -543.430 Base-Backbone interact. energy: -0.903 local terms energy: -591.293248 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -116.711 flat angles C4'-P-C4' energy: -134.042 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -153.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1772.067573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.067573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.067573 (E_RNA) where: Base-Base interactions energy: -1206.185 where: short stacking energy: -523.039 Base-Backbone interact. energy: -2.532 local terms energy: -563.350644 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -101.481 flat angles C4'-P-C4' energy: -109.762 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: -149.931 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: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1666.146105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.146105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.146105 (E_RNA) where: Base-Base interactions energy: -1151.487 where: short stacking energy: -486.983 Base-Backbone interact. energy: -4.828 local terms energy: -509.830385 where: bonds (distance) C4'-P energy: -102.120 bonds (distance) P-C4' energy: -100.762 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: -131.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1454.077777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.077777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.077777 (E_RNA) where: Base-Base interactions energy: -967.222 where: short stacking energy: -429.369 Base-Backbone interact. energy: 3.559 local terms energy: -490.415112 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -114.506 flat angles C4'-P-C4' energy: -115.546 flat angles P-C4'-P energy: -64.873 tors. eta vs tors. theta energy: -98.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1276.146652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.146652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.146652 (E_RNA) where: Base-Base interactions energy: -842.584 where: short stacking energy: -364.473 Base-Backbone interact. energy: 4.335 local terms energy: -437.897389 where: bonds (distance) C4'-P energy: -84.137 bonds (distance) P-C4' energy: -107.897 flat angles C4'-P-C4' energy: -92.756 flat angles P-C4'-P energy: -59.754 tors. eta vs tors. theta energy: -93.354 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: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1061.713538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.713538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.713538 (E_RNA) where: Base-Base interactions energy: -641.493 where: short stacking energy: -334.924 Base-Backbone interact. energy: -0.742 local terms energy: -419.478411 where: bonds (distance) C4'-P energy: -86.785 bonds (distance) P-C4' energy: -96.650 flat angles C4'-P-C4' energy: -98.384 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -66.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -648.294964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.294964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.294964 (E_RNA) where: Base-Base interactions energy: -326.591 where: short stacking energy: -165.172 Base-Backbone interact. energy: 0.383 local terms energy: -322.086746 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -83.081 flat angles P-C4'-P energy: -61.022 tors. eta vs tors. theta energy: 6.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -745.784890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.784890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.784890 (E_RNA) where: Base-Base interactions energy: -436.053 where: short stacking energy: -198.204 Base-Backbone interact. energy: 1.345 local terms energy: -311.076337 where: bonds (distance) C4'-P energy: -85.880 bonds (distance) P-C4' energy: -100.156 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -52.929 tors. eta vs tors. theta energy: -9.106 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: -2087.189077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.189077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.189077 (E_RNA) where: Base-Base interactions energy: -1441.634 where: short stacking energy: -625.558 Base-Backbone interact. energy: -2.494 local terms energy: -643.061470 where: bonds (distance) C4'-P energy: -118.940 bonds (distance) P-C4' energy: -112.553 flat angles C4'-P-C4' energy: -123.468 flat angles P-C4'-P energy: -93.311 tors. eta vs tors. theta energy: -194.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1962.319942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.319942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.319942 (E_RNA) where: Base-Base interactions energy: -1344.461 where: short stacking energy: -542.526 Base-Backbone interact. energy: -2.678 local terms energy: -615.180079 where: bonds (distance) C4'-P energy: -121.898 bonds (distance) P-C4' energy: -128.390 flat angles C4'-P-C4' energy: -131.144 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -153.107 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: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1905.102540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.102540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.102540 (E_RNA) where: Base-Base interactions energy: -1298.212 where: short stacking energy: -536.820 Base-Backbone interact. energy: -2.177 local terms energy: -604.713666 where: bonds (distance) C4'-P energy: -118.977 bonds (distance) P-C4' energy: -108.413 flat angles C4'-P-C4' energy: -133.803 flat angles P-C4'-P energy: -79.521 tors. eta vs tors. theta energy: -164.000 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: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1781.541820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.541820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.541820 (E_RNA) where: Base-Base interactions energy: -1231.884 where: short stacking energy: -559.896 Base-Backbone interact. energy: -0.503 local terms energy: -549.154746 where: bonds (distance) C4'-P energy: -88.397 bonds (distance) P-C4' energy: -113.665 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -80.144 tors. eta vs tors. theta energy: -153.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1662.903872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.903872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.903872 (E_RNA) where: Base-Base interactions energy: -1107.881 where: short stacking energy: -472.755 Base-Backbone interact. energy: -3.868 local terms energy: -551.154583 where: bonds (distance) C4'-P energy: -110.219 bonds (distance) P-C4' energy: -112.365 flat angles C4'-P-C4' energy: -118.593 flat angles P-C4'-P energy: -75.855 tors. eta vs tors. theta energy: -134.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1489.012945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.012945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.012945 (E_RNA) where: Base-Base interactions energy: -977.171 where: short stacking energy: -413.061 Base-Backbone interact. energy: -2.355 local terms energy: -509.486898 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -108.860 flat angles C4'-P-C4' energy: -109.521 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -114.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1276.442338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.442338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.442338 (E_RNA) where: Base-Base interactions energy: -802.098 where: short stacking energy: -374.463 Base-Backbone interact. energy: 10.200 local terms energy: -484.544904 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -109.576 flat angles C4'-P-C4' energy: -116.032 flat angles P-C4'-P energy: -61.523 tors. eta vs tors. theta energy: -89.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1050.178458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.178458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.178458 (E_RNA) where: Base-Base interactions energy: -650.938 where: short stacking energy: -282.704 Base-Backbone interact. energy: -1.224 local terms energy: -398.015982 where: bonds (distance) C4'-P energy: -103.401 bonds (distance) P-C4' energy: -99.626 flat angles C4'-P-C4' energy: -84.360 flat angles P-C4'-P energy: -73.016 tors. eta vs tors. theta energy: -37.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -692.441270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.441270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.441270 (E_RNA) where: Base-Base interactions energy: -352.747 where: short stacking energy: -197.205 Base-Backbone interact. energy: -0.449 local terms energy: -339.245346 where: bonds (distance) C4'-P energy: -97.247 bonds (distance) P-C4' energy: -80.914 flat angles C4'-P-C4' energy: -93.429 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -19.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -747.100985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.100985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.100985 (E_RNA) where: Base-Base interactions energy: -421.409 where: short stacking energy: -188.198 Base-Backbone interact. energy: -4.015 local terms energy: -321.676919 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -81.466 flat angles P-C4'-P energy: -35.057 tors. eta vs tors. theta energy: -9.185 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: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2096.142691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.142691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.142691 (E_RNA) where: Base-Base interactions energy: -1441.212 where: short stacking energy: -610.322 Base-Backbone interact. energy: -1.770 local terms energy: -653.161296 where: bonds (distance) C4'-P energy: -116.520 bonds (distance) P-C4' energy: -116.101 flat angles C4'-P-C4' energy: -137.825 flat angles P-C4'-P energy: -89.461 tors. eta vs tors. theta energy: -193.254 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: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1993.564009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.564009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.564009 (E_RNA) where: Base-Base interactions energy: -1383.951 where: short stacking energy: -600.965 Base-Backbone interact. energy: -2.614 local terms energy: -606.999726 where: bonds (distance) C4'-P energy: -113.630 bonds (distance) P-C4' energy: -117.279 flat angles C4'-P-C4' energy: -130.904 flat angles P-C4'-P energy: -83.916 tors. eta vs tors. theta energy: -161.272 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: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1887.524037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.524037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.524037 (E_RNA) where: Base-Base interactions energy: -1296.360 where: short stacking energy: -532.768 Base-Backbone interact. energy: -4.562 local terms energy: -586.601959 where: bonds (distance) C4'-P energy: -109.562 bonds (distance) P-C4' energy: -111.501 flat angles C4'-P-C4' energy: -125.821 flat angles P-C4'-P energy: -76.317 tors. eta vs tors. theta energy: -163.401 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: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1749.487207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.487207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.487207 (E_RNA) where: Base-Base interactions energy: -1220.926 where: short stacking energy: -506.713 Base-Backbone interact. energy: -1.409 local terms energy: -527.152447 where: bonds (distance) C4'-P energy: -101.970 bonds (distance) P-C4' energy: -87.612 flat angles C4'-P-C4' energy: -120.224 flat angles P-C4'-P energy: -83.345 tors. eta vs tors. theta energy: -134.001 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: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1677.534980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.534980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.534980 (E_RNA) where: Base-Base interactions energy: -1153.374 where: short stacking energy: -489.861 Base-Backbone interact. energy: -1.870 local terms energy: -522.291290 where: bonds (distance) C4'-P energy: -101.635 bonds (distance) P-C4' energy: -110.246 flat angles C4'-P-C4' energy: -116.101 flat angles P-C4'-P energy: -70.310 tors. eta vs tors. theta energy: -123.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1570.150116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.150116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.150116 (E_RNA) where: Base-Base interactions energy: -1029.946 where: short stacking energy: -444.781 Base-Backbone interact. energy: -0.755 local terms energy: -539.449293 where: bonds (distance) C4'-P energy: -102.808 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -132.785 flat angles P-C4'-P energy: -75.877 tors. eta vs tors. theta energy: -116.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1310.155731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.155731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.155731 (E_RNA) where: Base-Base interactions energy: -871.353 where: short stacking energy: -358.935 Base-Backbone interact. energy: 1.747 local terms energy: -440.550146 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -100.397 flat angles C4'-P-C4' energy: -97.786 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -77.931 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: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1034.014714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.014714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.014714 (E_RNA) where: Base-Base interactions energy: -658.114 where: short stacking energy: -280.775 Base-Backbone interact. energy: -5.682 local terms energy: -370.218722 where: bonds (distance) C4'-P energy: -84.804 bonds (distance) P-C4' energy: -101.432 flat angles C4'-P-C4' energy: -85.100 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -43.349 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: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -739.609414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.609414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.609414 (E_RNA) where: Base-Base interactions energy: -381.702 where: short stacking energy: -207.087 Base-Backbone interact. energy: 4.266 local terms energy: -362.173034 where: bonds (distance) C4'-P energy: -90.569 bonds (distance) P-C4' energy: -104.379 flat angles C4'-P-C4' energy: -104.290 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -596.013620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.013620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.013620 (E_RNA) where: Base-Base interactions energy: -297.474 where: short stacking energy: -182.069 Base-Backbone interact. energy: -2.494 local terms energy: -296.046066 where: bonds (distance) C4'-P energy: -97.022 bonds (distance) P-C4' energy: -91.275 flat angles C4'-P-C4' energy: -84.117 flat angles P-C4'-P energy: -40.983 tors. eta vs tors. theta energy: 17.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2110.828422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.828422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.828422 (E_RNA) where: Base-Base interactions energy: -1438.165 where: short stacking energy: -640.998 Base-Backbone interact. energy: -1.838 local terms energy: -670.825496 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -128.937 flat angles C4'-P-C4' energy: -149.572 flat angles P-C4'-P energy: -97.407 tors. eta vs tors. theta energy: -189.690 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1984.039593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.039593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.039593 (E_RNA) where: Base-Base interactions energy: -1377.919 where: short stacking energy: -578.187 Base-Backbone interact. energy: -3.550 local terms energy: -602.569927 where: bonds (distance) C4'-P energy: -112.702 bonds (distance) P-C4' energy: -113.405 flat angles C4'-P-C4' energy: -131.764 flat angles P-C4'-P energy: -86.474 tors. eta vs tors. theta energy: -158.224 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: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1869.475395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.475395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.475395 (E_RNA) where: Base-Base interactions energy: -1298.063 where: short stacking energy: -528.954 Base-Backbone interact. energy: -3.070 local terms energy: -568.342489 where: bonds (distance) C4'-P energy: -103.272 bonds (distance) P-C4' energy: -100.980 flat angles C4'-P-C4' energy: -132.947 flat angles P-C4'-P energy: -81.077 tors. eta vs tors. theta energy: -150.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1782.643579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.643579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.643579 (E_RNA) where: Base-Base interactions energy: -1222.129 where: short stacking energy: -501.926 Base-Backbone interact. energy: -0.530 local terms energy: -559.984611 where: bonds (distance) C4'-P energy: -108.267 bonds (distance) P-C4' energy: -107.269 flat angles C4'-P-C4' energy: -128.644 flat angles P-C4'-P energy: -78.838 tors. eta vs tors. theta energy: -136.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1651.940716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.940716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.940716 (E_RNA) where: Base-Base interactions energy: -1123.109 where: short stacking energy: -473.923 Base-Backbone interact. energy: -4.058 local terms energy: -524.773592 where: bonds (distance) C4'-P energy: -91.192 bonds (distance) P-C4' energy: -112.213 flat angles C4'-P-C4' energy: -125.408 flat angles P-C4'-P energy: -58.641 tors. eta vs tors. theta energy: -137.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1543.616751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.616751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.616751 (E_RNA) where: Base-Base interactions energy: -1046.035 where: short stacking energy: -437.909 Base-Backbone interact. energy: -4.331 local terms energy: -493.251151 where: bonds (distance) C4'-P energy: -105.469 bonds (distance) P-C4' energy: -108.217 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: -105.682 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: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1311.647094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.647094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.647094 (E_RNA) where: Base-Base interactions energy: -847.755 where: short stacking energy: -375.090 Base-Backbone interact. energy: 2.666 local terms energy: -466.557518 where: bonds (distance) C4'-P energy: -99.566 bonds (distance) P-C4' energy: -102.168 flat angles C4'-P-C4' energy: -93.839 flat angles P-C4'-P energy: -65.986 tors. eta vs tors. theta energy: -104.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1019.402065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.402065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.402065 (E_RNA) where: Base-Base interactions energy: -636.224 where: short stacking energy: -311.237 Base-Backbone interact. energy: -3.385 local terms energy: -379.793456 where: bonds (distance) C4'-P energy: -78.373 bonds (distance) P-C4' energy: -93.240 flat angles C4'-P-C4' energy: -98.275 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -58.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -822.935924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.935924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.935924 (E_RNA) where: Base-Base interactions energy: -464.451 where: short stacking energy: -232.302 Base-Backbone interact. energy: -1.671 local terms energy: -356.814364 where: bonds (distance) C4'-P energy: -85.926 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -77.972 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -24.932 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: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -511.781042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.781042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.781042 (E_RNA) where: Base-Base interactions energy: -199.717 where: short stacking energy: -132.904 Base-Backbone interact. energy: 1.060 local terms energy: -313.124062 where: bonds (distance) C4'-P energy: -102.697 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -97.072 flat angles P-C4'-P energy: -36.200 tors. eta vs tors. theta energy: 19.078 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: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2096.658958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.658958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.658958 (E_RNA) where: Base-Base interactions energy: -1419.451 where: short stacking energy: -592.065 Base-Backbone interact. energy: -2.254 local terms energy: -674.953438 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -123.608 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -106.021 tors. eta vs tors. theta energy: -184.214 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: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1982.031080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.031080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.031080 (E_RNA) where: Base-Base interactions energy: -1386.558 where: short stacking energy: -571.420 Base-Backbone interact. energy: -3.762 local terms energy: -591.711784 where: bonds (distance) C4'-P energy: -105.546 bonds (distance) P-C4' energy: -117.871 flat angles C4'-P-C4' energy: -131.167 flat angles P-C4'-P energy: -71.829 tors. eta vs tors. theta energy: -165.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1871.249309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.249309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.249309 (E_RNA) where: Base-Base interactions energy: -1286.863 where: short stacking energy: -550.094 Base-Backbone interact. energy: 1.206 local terms energy: -585.592151 where: bonds (distance) C4'-P energy: -107.874 bonds (distance) P-C4' energy: -116.230 flat angles C4'-P-C4' energy: -128.089 flat angles P-C4'-P energy: -76.198 tors. eta vs tors. theta energy: -157.202 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: 148 Temperature: 1.050000 Total energy: -1761.767993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.767993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.767993 (E_RNA) where: Base-Base interactions energy: -1195.207 where: short stacking energy: -517.632 Base-Backbone interact. energy: -2.726 local terms energy: -563.835562 where: bonds (distance) C4'-P energy: -116.118 bonds (distance) P-C4' energy: -113.096 flat angles C4'-P-C4' energy: -120.592 flat angles P-C4'-P energy: -72.226 tors. eta vs tors. theta energy: -141.805 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: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1657.551053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.551053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.551053 (E_RNA) where: Base-Base interactions energy: -1136.881 where: short stacking energy: -453.354 Base-Backbone interact. energy: -0.417 local terms energy: -520.252558 where: bonds (distance) C4'-P energy: -98.600 bonds (distance) P-C4' energy: -111.414 flat angles C4'-P-C4' energy: -114.499 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -118.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1549.351284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.351284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.351284 (E_RNA) where: Base-Base interactions energy: -1050.041 where: short stacking energy: -457.127 Base-Backbone interact. energy: -1.221 local terms energy: -498.090131 where: bonds (distance) C4'-P energy: -97.678 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -125.845 flat angles P-C4'-P energy: -77.664 tors. eta vs tors. theta energy: -103.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1285.140010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.140010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.140010 (E_RNA) where: Base-Base interactions energy: -802.773 where: short stacking energy: -373.385 Base-Backbone interact. energy: 4.376 local terms energy: -486.742704 where: bonds (distance) C4'-P energy: -99.509 bonds (distance) P-C4' energy: -113.968 flat angles C4'-P-C4' energy: -117.713 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -94.561 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: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1049.975711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.975711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.975711 (E_RNA) where: Base-Base interactions energy: -661.226 where: short stacking energy: -300.745 Base-Backbone interact. energy: -1.069 local terms energy: -387.680602 where: bonds (distance) C4'-P energy: -91.989 bonds (distance) P-C4' energy: -97.986 flat angles C4'-P-C4' energy: -98.917 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: -45.562 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: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -848.966430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.966430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.966430 (E_RNA) where: Base-Base interactions energy: -489.058 where: short stacking energy: -234.300 Base-Backbone interact. energy: 3.657 local terms energy: -363.564838 where: bonds (distance) C4'-P energy: -95.021 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -95.032 flat angles P-C4'-P energy: -47.529 tors. eta vs tors. theta energy: -27.682 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: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -482.518407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.518407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.518407 (E_RNA) where: Base-Base interactions energy: -160.475 where: short stacking energy: -115.187 Base-Backbone interact. energy: 1.418 local terms energy: -323.460732 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -101.500 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -57.569 tors. eta vs tors. theta energy: 20.075 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: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2070.560154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.560154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.560154 (E_RNA) where: Base-Base interactions energy: -1414.236 where: short stacking energy: -595.434 Base-Backbone interact. energy: -2.676 local terms energy: -653.648202 where: bonds (distance) C4'-P energy: -124.002 bonds (distance) P-C4' energy: -126.069 flat angles C4'-P-C4' energy: -130.124 flat angles P-C4'-P energy: -91.923 tors. eta vs tors. theta energy: -181.530 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1992.228269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.228269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.228269 (E_RNA) where: Base-Base interactions energy: -1378.004 where: short stacking energy: -587.428 Base-Backbone interact. energy: -1.727 local terms energy: -612.497738 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -113.535 flat angles C4'-P-C4' energy: -140.267 flat angles P-C4'-P energy: -79.907 tors. eta vs tors. theta energy: -159.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1892.430067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.430067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.430067 (E_RNA) where: Base-Base interactions energy: -1297.737 where: short stacking energy: -567.184 Base-Backbone interact. energy: -0.783 local terms energy: -593.909941 where: bonds (distance) C4'-P energy: -132.237 bonds (distance) P-C4' energy: -97.928 flat angles C4'-P-C4' energy: -131.105 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: -163.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1822.291354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.291354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.291354 (E_RNA) where: Base-Base interactions energy: -1227.284 where: short stacking energy: -543.053 Base-Backbone interact. energy: -0.939 local terms energy: -594.068601 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -110.843 flat angles C4'-P-C4' energy: -125.028 flat angles P-C4'-P energy: -80.734 tors. eta vs tors. theta energy: -160.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1683.461672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.461672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.461672 (E_RNA) where: Base-Base interactions energy: -1134.237 where: short stacking energy: -466.058 Base-Backbone interact. energy: -3.479 local terms energy: -545.745479 where: bonds (distance) C4'-P energy: -106.788 bonds (distance) P-C4' energy: -118.127 flat angles C4'-P-C4' energy: -124.434 flat angles P-C4'-P energy: -77.054 tors. eta vs tors. theta energy: -119.343 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: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1513.345135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.345135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.345135 (E_RNA) where: Base-Base interactions energy: -1013.732 where: short stacking energy: -443.762 Base-Backbone interact. energy: 0.047 local terms energy: -499.659697 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -105.797 flat angles C4'-P-C4' energy: -109.222 flat angles P-C4'-P energy: -71.457 tors. eta vs tors. theta energy: -103.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1214.880052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.880052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.880052 (E_RNA) where: Base-Base interactions energy: -745.412 where: short stacking energy: -336.842 Base-Backbone interact. energy: 0.682 local terms energy: -470.150220 where: bonds (distance) C4'-P energy: -112.206 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -102.447 flat angles P-C4'-P energy: -80.335 tors. eta vs tors. theta energy: -72.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1047.747831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.747831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.747831 (E_RNA) where: Base-Base interactions energy: -671.142 where: short stacking energy: -320.349 Base-Backbone interact. energy: 9.771 local terms energy: -386.376049 where: bonds (distance) C4'-P energy: -94.145 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -101.010 flat angles P-C4'-P energy: -46.747 tors. eta vs tors. theta energy: -57.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -900.367188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.367188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.367188 (E_RNA) where: Base-Base interactions energy: -519.680 where: short stacking energy: -258.235 Base-Backbone interact. energy: -1.631 local terms energy: -379.056043 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -91.915 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -33.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -475.382571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.382571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.382571 (E_RNA) where: Base-Base interactions energy: -175.708 where: short stacking energy: -145.623 Base-Backbone interact. energy: 0.545 local terms energy: -300.220020 where: bonds (distance) C4'-P energy: -97.003 bonds (distance) P-C4' energy: -104.389 flat angles C4'-P-C4' energy: -79.931 flat angles P-C4'-P energy: -34.135 tors. eta vs tors. theta energy: 15.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2067.701182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.701182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.701182 (E_RNA) where: Base-Base interactions energy: -1417.525 where: short stacking energy: -604.806 Base-Backbone interact. energy: -2.526 local terms energy: -647.649761 where: bonds (distance) C4'-P energy: -115.659 bonds (distance) P-C4' energy: -122.865 flat angles C4'-P-C4' energy: -137.462 flat angles P-C4'-P energy: -86.106 tors. eta vs tors. theta energy: -185.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1959.791300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.791300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.791300 (E_RNA) where: Base-Base interactions energy: -1344.416 where: short stacking energy: -578.746 Base-Backbone interact. energy: -2.391 local terms energy: -612.983591 where: bonds (distance) C4'-P energy: -116.176 bonds (distance) P-C4' energy: -112.049 flat angles C4'-P-C4' energy: -128.389 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -158.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1840.907993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.907993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.907993 (E_RNA) where: Base-Base interactions energy: -1265.421 where: short stacking energy: -540.007 Base-Backbone interact. energy: -4.581 local terms energy: -570.906537 where: bonds (distance) C4'-P energy: -123.604 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -128.907 flat angles P-C4'-P energy: -64.310 tors. eta vs tors. theta energy: -161.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1853.547926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.547926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.547926 (E_RNA) where: Base-Base interactions energy: -1263.109 where: short stacking energy: -555.376 Base-Backbone interact. energy: -2.293 local terms energy: -588.145536 where: bonds (distance) C4'-P energy: -102.103 bonds (distance) P-C4' energy: -112.588 flat angles C4'-P-C4' energy: -123.430 flat angles P-C4'-P energy: -101.661 tors. eta vs tors. theta energy: -148.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1636.832013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.832013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.832013 (E_RNA) where: Base-Base interactions energy: -1125.308 where: short stacking energy: -452.386 Base-Backbone interact. energy: -1.290 local terms energy: -510.234555 where: bonds (distance) C4'-P energy: -99.125 bonds (distance) P-C4' energy: -113.768 flat angles C4'-P-C4' energy: -101.704 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -120.693 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: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1522.526618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.526618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.526618 (E_RNA) where: Base-Base interactions energy: -1014.455 where: short stacking energy: -411.707 Base-Backbone interact. energy: -0.380 local terms energy: -507.691751 where: bonds (distance) C4'-P energy: -112.965 bonds (distance) P-C4' energy: -111.609 flat angles C4'-P-C4' energy: -111.126 flat angles P-C4'-P energy: -73.399 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: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1184.814684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.814684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.814684 (E_RNA) where: Base-Base interactions energy: -768.860 where: short stacking energy: -346.045 Base-Backbone interact. energy: -2.859 local terms energy: -413.095057 where: bonds (distance) C4'-P energy: -88.729 bonds (distance) P-C4' energy: -98.569 flat angles C4'-P-C4' energy: -99.146 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -56.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1029.332975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.332975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.332975 (E_RNA) where: Base-Base interactions energy: -632.802 where: short stacking energy: -298.734 Base-Backbone interact. energy: 0.298 local terms energy: -396.828253 where: bonds (distance) C4'-P energy: -93.736 bonds (distance) P-C4' energy: -101.192 flat angles C4'-P-C4' energy: -88.857 flat angles P-C4'-P energy: -51.672 tors. eta vs tors. theta energy: -61.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -846.310173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.310173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.310173 (E_RNA) where: Base-Base interactions energy: -438.726 where: short stacking energy: -223.804 Base-Backbone interact. energy: 1.192 local terms energy: -408.775817 where: bonds (distance) C4'-P energy: -108.919 bonds (distance) P-C4' energy: -106.780 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -60.191 tors. eta vs tors. theta energy: -23.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -453.081617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.081617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.081617 (E_RNA) where: Base-Base interactions energy: -136.026 where: short stacking energy: -107.664 Base-Backbone interact. energy: 3.671 local terms energy: -320.727106 where: bonds (distance) C4'-P energy: -97.663 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -92.544 flat angles P-C4'-P energy: -52.836 tors. eta vs tors. theta energy: 38.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2066.787081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.787081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.787081 (E_RNA) where: Base-Base interactions energy: -1416.343 where: short stacking energy: -632.468 Base-Backbone interact. energy: -0.562 local terms energy: -649.881757 where: bonds (distance) C4'-P energy: -125.129 bonds (distance) P-C4' energy: -111.827 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -92.794 tors. eta vs tors. theta energy: -189.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1953.001443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.001443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.001443 (E_RNA) where: Base-Base interactions energy: -1341.556 where: short stacking energy: -557.547 Base-Backbone interact. energy: -3.860 local terms energy: -607.584947 where: bonds (distance) C4'-P energy: -116.022 bonds (distance) P-C4' energy: -121.818 flat angles C4'-P-C4' energy: -135.094 flat angles P-C4'-P energy: -79.329 tors. eta vs tors. theta energy: -155.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1833.692791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.692791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.692791 (E_RNA) where: Base-Base interactions energy: -1241.065 where: short stacking energy: -543.627 Base-Backbone interact. energy: 0.733 local terms energy: -593.361107 where: bonds (distance) C4'-P energy: -111.460 bonds (distance) P-C4' energy: -97.219 flat angles C4'-P-C4' energy: -132.461 flat angles P-C4'-P energy: -84.251 tors. eta vs tors. theta energy: -167.970 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: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1768.094473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.094473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.094473 (E_RNA) where: Base-Base interactions energy: -1180.959 where: short stacking energy: -495.903 Base-Backbone interact. energy: -3.541 local terms energy: -583.594599 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -118.302 flat angles C4'-P-C4' energy: -119.166 flat angles P-C4'-P energy: -93.677 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: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1651.149523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.149523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.149523 (E_RNA) where: Base-Base interactions energy: -1115.961 where: short stacking energy: -468.862 Base-Backbone interact. energy: -2.652 local terms energy: -532.536500 where: bonds (distance) C4'-P energy: -96.277 bonds (distance) P-C4' energy: -100.857 flat angles C4'-P-C4' energy: -122.229 flat angles P-C4'-P energy: -85.197 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: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1504.915251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.915251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.915251 (E_RNA) where: Base-Base interactions energy: -1020.269 where: short stacking energy: -434.106 Base-Backbone interact. energy: -0.233 local terms energy: -484.413535 where: bonds (distance) C4'-P energy: -95.372 bonds (distance) P-C4' energy: -108.760 flat angles C4'-P-C4' energy: -116.390 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -100.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1271.699289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.699289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.699289 (E_RNA) where: Base-Base interactions energy: -811.223 where: short stacking energy: -363.309 Base-Backbone interact. energy: -3.774 local terms energy: -456.703165 where: bonds (distance) C4'-P energy: -96.095 bonds (distance) P-C4' energy: -94.323 flat angles C4'-P-C4' energy: -104.602 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -88.631 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: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -971.856429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.856429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.856429 (E_RNA) where: Base-Base interactions energy: -550.041 where: short stacking energy: -283.110 Base-Backbone interact. energy: -2.207 local terms energy: -419.608379 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -105.593 flat angles C4'-P-C4' energy: -93.838 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -54.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -916.730783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.730783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.730783 (E_RNA) where: Base-Base interactions energy: -607.089 where: short stacking energy: -282.693 Base-Backbone interact. energy: 0.562 local terms energy: -310.204631 where: bonds (distance) C4'-P energy: -77.353 bonds (distance) P-C4' energy: -94.448 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -36.477 tors. eta vs tors. theta energy: -15.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -475.961563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.961563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.961563 (E_RNA) where: Base-Base interactions energy: -191.862 where: short stacking energy: -128.401 Base-Backbone interact. energy: -1.465 local terms energy: -282.634845 where: bonds (distance) C4'-P energy: -86.657 bonds (distance) P-C4' energy: -100.866 flat angles C4'-P-C4' energy: -84.560 flat angles P-C4'-P energy: -49.003 tors. eta vs tors. theta energy: 38.451 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: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2059.350949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.350949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.350949 (E_RNA) where: Base-Base interactions energy: -1412.119 where: short stacking energy: -610.289 Base-Backbone interact. energy: -6.694 local terms energy: -640.538165 where: bonds (distance) C4'-P energy: -118.117 bonds (distance) P-C4' energy: -120.431 flat angles C4'-P-C4' energy: -135.535 flat angles P-C4'-P energy: -91.286 tors. eta vs tors. theta energy: -175.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1957.018874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.018874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.018874 (E_RNA) where: Base-Base interactions energy: -1351.453 where: short stacking energy: -584.141 Base-Backbone interact. energy: -2.412 local terms energy: -603.153937 where: bonds (distance) C4'-P energy: -109.509 bonds (distance) P-C4' energy: -104.411 flat angles C4'-P-C4' energy: -132.749 flat angles P-C4'-P energy: -90.738 tors. eta vs tors. theta energy: -165.746 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: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1870.761559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.761559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.761559 (E_RNA) where: Base-Base interactions energy: -1252.594 where: short stacking energy: -557.670 Base-Backbone interact. energy: -1.637 local terms energy: -616.530047 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -104.020 flat angles C4'-P-C4' energy: -134.417 flat angles P-C4'-P energy: -97.100 tors. eta vs tors. theta energy: -163.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1801.408789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.408789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.408789 (E_RNA) where: Base-Base interactions energy: -1238.427 where: short stacking energy: -493.053 Base-Backbone interact. energy: 0.016 local terms energy: -562.998296 where: bonds (distance) C4'-P energy: -105.150 bonds (distance) P-C4' energy: -110.494 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -81.393 tors. eta vs tors. theta energy: -137.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1673.549286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.549286 (E_RNA) where: Base-Base interactions energy: -1145.210 where: short stacking energy: -455.500 Base-Backbone interact. energy: -1.168 local terms energy: -527.171491 where: bonds (distance) C4'-P energy: -95.332 bonds (distance) P-C4' energy: -109.432 flat angles C4'-P-C4' energy: -128.417 flat angles P-C4'-P energy: -72.426 tors. eta vs tors. theta energy: -121.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1519.804432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.804432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.804432 (E_RNA) where: Base-Base interactions energy: -1009.537 where: short stacking energy: -422.361 Base-Backbone interact. energy: 2.388 local terms energy: -512.655634 where: bonds (distance) C4'-P energy: -111.771 bonds (distance) P-C4' energy: -105.879 flat angles C4'-P-C4' energy: -112.074 flat angles P-C4'-P energy: -72.471 tors. eta vs tors. theta energy: -110.460 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: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1221.017673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.017673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.017673 (E_RNA) where: Base-Base interactions energy: -772.440 where: short stacking energy: -349.711 Base-Backbone interact. energy: -1.125 local terms energy: -447.453458 where: bonds (distance) C4'-P energy: -99.596 bonds (distance) P-C4' energy: -99.893 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -67.858 tors. eta vs tors. theta energy: -77.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -965.777165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.777165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.777165 (E_RNA) where: Base-Base interactions energy: -544.863 where: short stacking energy: -281.173 Base-Backbone interact. energy: 4.282 local terms energy: -425.195775 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -102.639 flat angles C4'-P-C4' energy: -99.418 flat angles P-C4'-P energy: -74.720 tors. eta vs tors. theta energy: -47.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -866.051630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.051630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.051630 (E_RNA) where: Base-Base interactions energy: -511.027 where: short stacking energy: -249.720 Base-Backbone interact. energy: -1.828 local terms energy: -353.195982 where: bonds (distance) C4'-P energy: -90.954 bonds (distance) P-C4' energy: -96.222 flat angles C4'-P-C4' energy: -91.528 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -24.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -483.585442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.585442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.585442 (E_RNA) where: Base-Base interactions energy: -196.442 where: short stacking energy: -151.150 Base-Backbone interact. energy: -0.740 local terms energy: -286.403261 where: bonds (distance) C4'-P energy: -78.944 bonds (distance) P-C4' energy: -104.693 flat angles C4'-P-C4' energy: -62.157 flat angles P-C4'-P energy: -41.333 tors. eta vs tors. theta energy: 0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2050.585990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.585990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.585990 (E_RNA) where: Base-Base interactions energy: -1411.420 where: short stacking energy: -615.095 Base-Backbone interact. energy: -0.476 local terms energy: -638.689770 where: bonds (distance) C4'-P energy: -117.364 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -139.923 flat angles P-C4'-P energy: -86.420 tors. eta vs tors. theta energy: -177.929 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1967.226630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.226630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.226630 (E_RNA) where: Base-Base interactions energy: -1347.930 where: short stacking energy: -566.571 Base-Backbone interact. energy: -3.122 local terms energy: -616.174658 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -121.603 flat angles C4'-P-C4' energy: -125.893 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -162.534 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: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1827.146752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.146752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.146752 (E_RNA) where: Base-Base interactions energy: -1245.333 where: short stacking energy: -542.439 Base-Backbone interact. energy: -4.083 local terms energy: -577.730627 where: bonds (distance) C4'-P energy: -99.674 bonds (distance) P-C4' energy: -116.346 flat angles C4'-P-C4' energy: -122.724 flat angles P-C4'-P energy: -88.595 tors. eta vs tors. theta energy: -150.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1806.862607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.862607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.862607 (E_RNA) where: Base-Base interactions energy: -1226.636 where: short stacking energy: -524.647 Base-Backbone interact. energy: -2.752 local terms energy: -577.473812 where: bonds (distance) C4'-P energy: -101.575 bonds (distance) P-C4' energy: -124.375 flat angles C4'-P-C4' energy: -124.311 flat angles P-C4'-P energy: -77.098 tors. eta vs tors. theta energy: -150.115 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: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1662.682902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.682902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.682902 (E_RNA) where: Base-Base interactions energy: -1116.695 where: short stacking energy: -446.542 Base-Backbone interact. energy: -2.127 local terms energy: -543.860484 where: bonds (distance) C4'-P energy: -112.738 bonds (distance) P-C4' energy: -109.438 flat angles C4'-P-C4' energy: -124.757 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -123.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1494.066490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.066490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.066490 (E_RNA) where: Base-Base interactions energy: -1012.676 where: short stacking energy: -449.876 Base-Backbone interact. energy: -1.290 local terms energy: -480.100621 where: bonds (distance) C4'-P energy: -101.696 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -105.643 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -102.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1268.257268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.257268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.257268 (E_RNA) where: Base-Base interactions energy: -831.215 where: short stacking energy: -343.617 Base-Backbone interact. energy: 2.270 local terms energy: -439.312209 where: bonds (distance) C4'-P energy: -106.295 bonds (distance) P-C4' energy: -99.430 flat angles C4'-P-C4' energy: -100.978 flat angles P-C4'-P energy: -65.246 tors. eta vs tors. theta energy: -67.364 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: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -945.215379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.215379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.215379 (E_RNA) where: Base-Base interactions energy: -551.811 where: short stacking energy: -274.812 Base-Backbone interact. energy: -1.411 local terms energy: -391.993655 where: bonds (distance) C4'-P energy: -102.424 bonds (distance) P-C4' energy: -94.237 flat angles C4'-P-C4' energy: -97.259 flat angles P-C4'-P energy: -54.120 tors. eta vs tors. theta energy: -43.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -894.035036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.035036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.035036 (E_RNA) where: Base-Base interactions energy: -537.444 where: short stacking energy: -244.003 Base-Backbone interact. energy: 1.451 local terms energy: -358.042380 where: bonds (distance) C4'-P energy: -80.292 bonds (distance) P-C4' energy: -104.404 flat angles C4'-P-C4' energy: -81.066 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: -26.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -481.441527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.441527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.441527 (E_RNA) where: Base-Base interactions energy: -186.730 where: short stacking energy: -145.311 Base-Backbone interact. energy: 5.884 local terms energy: -300.596134 where: bonds (distance) C4'-P energy: -74.232 bonds (distance) P-C4' energy: -107.222 flat angles C4'-P-C4' energy: -77.212 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: 12.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2063.454111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.454111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.454111 (E_RNA) where: Base-Base interactions energy: -1436.168 where: short stacking energy: -591.034 Base-Backbone interact. energy: -4.699 local terms energy: -622.586939 where: bonds (distance) C4'-P energy: -108.739 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -133.213 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -174.630 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: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1923.550445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.550445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.550445 (E_RNA) where: Base-Base interactions energy: -1327.505 where: short stacking energy: -542.639 Base-Backbone interact. energy: -3.123 local terms energy: -592.922348 where: bonds (distance) C4'-P energy: -118.155 bonds (distance) P-C4' energy: -113.938 flat angles C4'-P-C4' energy: -122.244 flat angles P-C4'-P energy: -91.894 tors. eta vs tors. theta energy: -146.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1855.792597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.792597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.792597 (E_RNA) where: Base-Base interactions energy: -1272.348 where: short stacking energy: -516.583 Base-Backbone interact. energy: -2.179 local terms energy: -581.265122 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -119.740 flat angles C4'-P-C4' energy: -122.000 flat angles P-C4'-P energy: -81.209 tors. eta vs tors. theta energy: -162.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1848.866377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.866377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.866377 (E_RNA) where: Base-Base interactions energy: -1261.518 where: short stacking energy: -509.013 Base-Backbone interact. energy: -5.004 local terms energy: -582.343698 where: bonds (distance) C4'-P energy: -109.391 bonds (distance) P-C4' energy: -112.334 flat angles C4'-P-C4' energy: -128.965 flat angles P-C4'-P energy: -85.176 tors. eta vs tors. theta energy: -146.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1628.642825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.642825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.642825 (E_RNA) where: Base-Base interactions energy: -1106.710 where: short stacking energy: -462.503 Base-Backbone interact. energy: -2.043 local terms energy: -519.889154 where: bonds (distance) C4'-P energy: -94.692 bonds (distance) P-C4' energy: -112.995 flat angles C4'-P-C4' energy: -121.066 flat angles P-C4'-P energy: -69.606 tors. eta vs tors. theta energy: -121.530 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: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1476.874985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.874985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.874985 (E_RNA) where: Base-Base interactions energy: -1010.836 where: short stacking energy: -420.106 Base-Backbone interact. energy: 3.090 local terms energy: -469.129475 where: bonds (distance) C4'-P energy: -95.691 bonds (distance) P-C4' energy: -112.052 flat angles C4'-P-C4' energy: -105.661 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -103.821 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: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1200.628881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.628881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.628881 (E_RNA) where: Base-Base interactions energy: -758.454 where: short stacking energy: -333.955 Base-Backbone interact. energy: -2.514 local terms energy: -439.661638 where: bonds (distance) C4'-P energy: -90.790 bonds (distance) P-C4' energy: -103.125 flat angles C4'-P-C4' energy: -104.770 flat angles P-C4'-P energy: -63.552 tors. eta vs tors. theta energy: -77.424 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: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -969.588134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.588134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.588134 (E_RNA) where: Base-Base interactions energy: -590.330 where: short stacking energy: -276.008 Base-Backbone interact. energy: -0.101 local terms energy: -379.157929 where: bonds (distance) C4'-P energy: -87.759 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -62.714 tors. eta vs tors. theta energy: -42.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -924.005357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.005357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.005357 (E_RNA) where: Base-Base interactions energy: -549.312 where: short stacking energy: -245.054 Base-Backbone interact. energy: 12.194 local terms energy: -386.886812 where: bonds (distance) C4'-P energy: -104.238 bonds (distance) P-C4' energy: -112.981 flat angles C4'-P-C4' energy: -86.376 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -17.930 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: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -452.149786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.149786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.149786 (E_RNA) where: Base-Base interactions energy: -135.441 where: short stacking energy: -122.173 Base-Backbone interact. energy: -3.107 local terms energy: -313.602506 where: bonds (distance) C4'-P energy: -98.709 bonds (distance) P-C4' energy: -101.233 flat angles C4'-P-C4' energy: -77.770 flat angles P-C4'-P energy: -53.962 tors. eta vs tors. theta energy: 18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2070.472327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.472327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.472327 (E_RNA) where: Base-Base interactions energy: -1419.681 where: short stacking energy: -586.100 Base-Backbone interact. energy: -1.587 local terms energy: -649.204501 where: bonds (distance) C4'-P energy: -124.161 bonds (distance) P-C4' energy: -110.166 flat angles C4'-P-C4' energy: -142.808 flat angles P-C4'-P energy: -87.175 tors. eta vs tors. theta energy: -184.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1954.774474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.774474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.774474 (E_RNA) where: Base-Base interactions energy: -1350.080 where: short stacking energy: -563.080 Base-Backbone interact. energy: -4.135 local terms energy: -600.559329 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -127.549 flat angles C4'-P-C4' energy: -124.732 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -147.460 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1843.475948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.475948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.475948 (E_RNA) where: Base-Base interactions energy: -1247.109 where: short stacking energy: -515.416 Base-Backbone interact. energy: 1.466 local terms energy: -597.832971 where: bonds (distance) C4'-P energy: -110.631 bonds (distance) P-C4' energy: -119.674 flat angles C4'-P-C4' energy: -130.058 flat angles P-C4'-P energy: -88.437 tors. eta vs tors. theta energy: -149.032 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: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1772.476418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.476418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.476418 (E_RNA) where: Base-Base interactions energy: -1205.298 where: short stacking energy: -491.629 Base-Backbone interact. energy: 1.820 local terms energy: -568.998888 where: bonds (distance) C4'-P energy: -105.331 bonds (distance) P-C4' energy: -117.820 flat angles C4'-P-C4' energy: -131.720 flat angles P-C4'-P energy: -77.619 tors. eta vs tors. theta energy: -136.509 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: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1669.224409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.224409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.224409 (E_RNA) where: Base-Base interactions energy: -1116.183 where: short stacking energy: -461.654 Base-Backbone interact. energy: -2.098 local terms energy: -550.943052 where: bonds (distance) C4'-P energy: -108.579 bonds (distance) P-C4' energy: -127.183 flat angles C4'-P-C4' energy: -116.575 flat angles P-C4'-P energy: -67.046 tors. eta vs tors. theta energy: -131.560 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: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1389.874131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.874131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.874131 (E_RNA) where: Base-Base interactions energy: -896.345 where: short stacking energy: -399.782 Base-Backbone interact. energy: -3.461 local terms energy: -490.068399 where: bonds (distance) C4'-P energy: -84.183 bonds (distance) P-C4' energy: -123.544 flat angles C4'-P-C4' energy: -114.252 flat angles P-C4'-P energy: -81.091 tors. eta vs tors. theta energy: -86.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1104.316122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.316122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.316122 (E_RNA) where: Base-Base interactions energy: -675.884 where: short stacking energy: -326.513 Base-Backbone interact. energy: 1.486 local terms energy: -429.917376 where: bonds (distance) C4'-P energy: -108.101 bonds (distance) P-C4' energy: -101.229 flat angles C4'-P-C4' energy: -97.102 flat angles P-C4'-P energy: -60.157 tors. eta vs tors. theta energy: -63.328 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: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -949.417595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.417595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.417595 (E_RNA) where: Base-Base interactions energy: -590.885 where: short stacking energy: -283.526 Base-Backbone interact. energy: 3.471 local terms energy: -362.003672 where: bonds (distance) C4'-P energy: -96.956 bonds (distance) P-C4' energy: -93.049 flat angles C4'-P-C4' energy: -82.093 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -31.777 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: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -951.427996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.427996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.427996 (E_RNA) where: Base-Base interactions energy: -584.239 where: short stacking energy: -254.393 Base-Backbone interact. energy: -0.357 local terms energy: -366.832544 where: bonds (distance) C4'-P energy: -101.029 bonds (distance) P-C4' energy: -103.762 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -22.631 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: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -441.410303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.410303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.410303 (E_RNA) where: Base-Base interactions energy: -147.444 where: short stacking energy: -141.002 Base-Backbone interact. energy: 0.853 local terms energy: -294.819697 where: bonds (distance) C4'-P energy: -87.247 bonds (distance) P-C4' energy: -113.198 flat angles C4'-P-C4' energy: -69.948 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: 16.808 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: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2122.847408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.847408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.847408 (E_RNA) where: Base-Base interactions energy: -1459.846 where: short stacking energy: -619.171 Base-Backbone interact. energy: -2.589 local terms energy: -660.412340 where: bonds (distance) C4'-P energy: -117.691 bonds (distance) P-C4' energy: -128.295 flat angles C4'-P-C4' energy: -132.166 flat angles P-C4'-P energy: -93.442 tors. eta vs tors. theta energy: -188.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1940.009538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.009538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.009538 (E_RNA) where: Base-Base interactions energy: -1336.832 where: short stacking energy: -559.770 Base-Backbone interact. energy: -2.677 local terms energy: -600.500635 where: bonds (distance) C4'-P energy: -122.942 bonds (distance) P-C4' energy: -114.123 flat angles C4'-P-C4' energy: -125.477 flat angles P-C4'-P energy: -90.898 tors. eta vs tors. theta energy: -147.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1892.741531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.741531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.741531 (E_RNA) where: Base-Base interactions energy: -1295.725 where: short stacking energy: -541.658 Base-Backbone interact. energy: -5.312 local terms energy: -591.705234 where: bonds (distance) C4'-P energy: -121.491 bonds (distance) P-C4' energy: -102.334 flat angles C4'-P-C4' energy: -130.906 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -148.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1764.207396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.207396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.207396 (E_RNA) where: Base-Base interactions energy: -1193.031 where: short stacking energy: -485.507 Base-Backbone interact. energy: 4.115 local terms energy: -575.291543 where: bonds (distance) C4'-P energy: -113.364 bonds (distance) P-C4' energy: -113.394 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -89.052 tors. eta vs tors. theta energy: -131.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1677.509049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.509049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.509049 (E_RNA) where: Base-Base interactions energy: -1156.094 where: short stacking energy: -463.226 Base-Backbone interact. energy: -2.346 local terms energy: -519.069283 where: bonds (distance) C4'-P energy: -103.438 bonds (distance) P-C4' energy: -99.617 flat angles C4'-P-C4' energy: -125.784 flat angles P-C4'-P energy: -75.352 tors. eta vs tors. theta energy: -114.878 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: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1449.354831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.354831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.354831 (E_RNA) where: Base-Base interactions energy: -968.259 where: short stacking energy: -413.845 Base-Backbone interact. energy: 0.134 local terms energy: -481.230124 where: bonds (distance) C4'-P energy: -98.667 bonds (distance) P-C4' energy: -111.609 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -88.681 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: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1169.671831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.671831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.671831 (E_RNA) where: Base-Base interactions energy: -715.767 where: short stacking energy: -313.221 Base-Backbone interact. energy: 2.777 local terms energy: -456.681253 where: bonds (distance) C4'-P energy: -106.775 bonds (distance) P-C4' energy: -113.621 flat angles C4'-P-C4' energy: -107.111 flat angles P-C4'-P energy: -61.002 tors. eta vs tors. theta energy: -68.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -909.463592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.463592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.463592 (E_RNA) where: Base-Base interactions energy: -525.261 where: short stacking energy: -257.282 Base-Backbone interact. energy: 3.178 local terms energy: -387.380938 where: bonds (distance) C4'-P energy: -100.503 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -102.375 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: -38.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -964.743775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.743775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.743775 (E_RNA) where: Base-Base interactions energy: -587.472 where: short stacking energy: -257.771 Base-Backbone interact. energy: -1.114 local terms energy: -376.157711 where: bonds (distance) C4'-P energy: -96.918 bonds (distance) P-C4' energy: -88.024 flat angles C4'-P-C4' energy: -96.401 flat angles P-C4'-P energy: -68.014 tors. eta vs tors. theta energy: -26.801 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: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -483.690282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.690282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.690282 (E_RNA) where: Base-Base interactions energy: -163.157 where: short stacking energy: -101.728 Base-Backbone interact. energy: 1.474 local terms energy: -322.007896 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -107.478 flat angles C4'-P-C4' energy: -93.772 flat angles P-C4'-P energy: -51.834 tors. eta vs tors. theta energy: 27.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2108.399344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.399344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.399344 (E_RNA) where: Base-Base interactions energy: -1454.210 where: short stacking energy: -617.572 Base-Backbone interact. energy: -3.065 local terms energy: -651.124392 where: bonds (distance) C4'-P energy: -111.765 bonds (distance) P-C4' energy: -121.863 flat angles C4'-P-C4' energy: -134.658 flat angles P-C4'-P energy: -90.350 tors. eta vs tors. theta energy: -192.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1959.158271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.158271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.158271 (E_RNA) where: Base-Base interactions energy: -1359.469 where: short stacking energy: -577.104 Base-Backbone interact. energy: -5.155 local terms energy: -594.533708 where: bonds (distance) C4'-P energy: -101.523 bonds (distance) P-C4' energy: -116.071 flat angles C4'-P-C4' energy: -132.644 flat angles P-C4'-P energy: -75.052 tors. eta vs tors. theta energy: -169.244 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: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1891.465723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.465723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.465723 (E_RNA) where: Base-Base interactions energy: -1315.795 where: short stacking energy: -546.234 Base-Backbone interact. energy: 3.833 local terms energy: -579.504049 where: bonds (distance) C4'-P energy: -104.621 bonds (distance) P-C4' energy: -112.971 flat angles C4'-P-C4' energy: -129.271 flat angles P-C4'-P energy: -77.118 tors. eta vs tors. theta energy: -155.523 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: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1764.694936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.694936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.694936 (E_RNA) where: Base-Base interactions energy: -1206.054 where: short stacking energy: -504.272 Base-Backbone interact. energy: -3.730 local terms energy: -554.910914 where: bonds (distance) C4'-P energy: -97.618 bonds (distance) P-C4' energy: -108.670 flat angles C4'-P-C4' energy: -116.659 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -147.250 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1625.209626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.209626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.209626 (E_RNA) where: Base-Base interactions energy: -1097.857 where: short stacking energy: -475.948 Base-Backbone interact. energy: -3.191 local terms energy: -524.161857 where: bonds (distance) C4'-P energy: -92.934 bonds (distance) P-C4' energy: -118.663 flat angles C4'-P-C4' energy: -114.915 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -126.012 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: 6, replica: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1449.287570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.287570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.287570 (E_RNA) where: Base-Base interactions energy: -980.349 where: short stacking energy: -392.540 Base-Backbone interact. energy: 1.852 local terms energy: -470.791206 where: bonds (distance) C4'-P energy: -96.210 bonds (distance) P-C4' energy: -111.007 flat angles C4'-P-C4' energy: -105.617 flat angles P-C4'-P energy: -82.804 tors. eta vs tors. theta energy: -75.153 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: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1190.663510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.663510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.663510 (E_RNA) where: Base-Base interactions energy: -775.723 where: short stacking energy: -369.915 Base-Backbone interact. energy: -0.228 local terms energy: -414.713020 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -91.531 flat angles C4'-P-C4' energy: -107.188 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: -80.668 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: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1030.648219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.648219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.648219 (E_RNA) where: Base-Base interactions energy: -624.157 where: short stacking energy: -293.502 Base-Backbone interact. energy: -0.540 local terms energy: -405.951065 where: bonds (distance) C4'-P energy: -108.427 bonds (distance) P-C4' energy: -105.258 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -53.980 tors. eta vs tors. theta energy: -47.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -882.311559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.311559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.311559 (E_RNA) where: Base-Base interactions energy: -510.713 where: short stacking energy: -251.845 Base-Backbone interact. energy: 4.307 local terms energy: -375.906045 where: bonds (distance) C4'-P energy: -101.289 bonds (distance) P-C4' energy: -103.791 flat angles C4'-P-C4' energy: -87.011 flat angles P-C4'-P energy: -55.177 tors. eta vs tors. theta energy: -28.638 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: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -520.129037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.129037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.129037 (E_RNA) where: Base-Base interactions energy: -236.335 where: short stacking energy: -149.581 Base-Backbone interact. energy: 4.414 local terms energy: -288.207984 where: bonds (distance) C4'-P energy: -84.227 bonds (distance) P-C4' energy: -92.699 flat angles C4'-P-C4' energy: -78.891 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: 18.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2104.456027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.456027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.456027 (E_RNA) where: Base-Base interactions energy: -1447.574 where: short stacking energy: -630.363 Base-Backbone interact. energy: 0.722 local terms energy: -657.604354 where: bonds (distance) C4'-P energy: -116.336 bonds (distance) P-C4' energy: -122.546 flat angles C4'-P-C4' energy: -139.282 flat angles P-C4'-P energy: -86.906 tors. eta vs tors. theta energy: -192.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1963.220886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.220886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.220886 (E_RNA) where: Base-Base interactions energy: -1324.763 where: short stacking energy: -547.409 Base-Backbone interact. energy: -4.834 local terms energy: -633.624365 where: bonds (distance) C4'-P energy: -116.184 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -130.721 flat angles P-C4'-P energy: -86.639 tors. eta vs tors. theta energy: -174.473 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: 158 Temperature: 1.000000 Total energy: -1899.297397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.297397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.297397 (E_RNA) where: Base-Base interactions energy: -1325.345 where: short stacking energy: -564.077 Base-Backbone interact. energy: -2.341 local terms energy: -571.611503 where: bonds (distance) C4'-P energy: -120.892 bonds (distance) P-C4' energy: -109.243 flat angles C4'-P-C4' energy: -124.533 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -143.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1794.030152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.030152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.030152 (E_RNA) where: Base-Base interactions energy: -1221.776 where: short stacking energy: -534.301 Base-Backbone interact. energy: -3.532 local terms energy: -568.722247 where: bonds (distance) C4'-P energy: -121.044 bonds (distance) P-C4' energy: -119.076 flat angles C4'-P-C4' energy: -116.852 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -143.506 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: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1657.637986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.637986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.637986 (E_RNA) where: Base-Base interactions energy: -1130.881 where: short stacking energy: -459.284 Base-Backbone interact. energy: 4.726 local terms energy: -531.483358 where: bonds (distance) C4'-P energy: -99.220 bonds (distance) P-C4' energy: -114.091 flat angles C4'-P-C4' energy: -118.295 flat angles P-C4'-P energy: -78.586 tors. eta vs tors. theta energy: -121.292 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: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1503.557180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.557180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.557180 (E_RNA) where: Base-Base interactions energy: -1018.620 where: short stacking energy: -433.241 Base-Backbone interact. energy: -2.909 local terms energy: -482.028428 where: bonds (distance) C4'-P energy: -96.622 bonds (distance) P-C4' energy: -96.766 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -98.108 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: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1223.506744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.506744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.506744 (E_RNA) where: Base-Base interactions energy: -776.646 where: short stacking energy: -368.040 Base-Backbone interact. energy: -1.253 local terms energy: -445.608006 where: bonds (distance) C4'-P energy: -91.724 bonds (distance) P-C4' energy: -91.269 flat angles C4'-P-C4' energy: -105.010 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -89.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1070.308339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.308339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.308339 (E_RNA) where: Base-Base interactions energy: -659.853 where: short stacking energy: -306.877 Base-Backbone interact. energy: -1.634 local terms energy: -408.821898 where: bonds (distance) C4'-P energy: -103.049 bonds (distance) P-C4' energy: -118.389 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -36.843 tors. eta vs tors. theta energy: -46.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -831.312851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.312851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.312851 (E_RNA) where: Base-Base interactions energy: -485.810 where: short stacking energy: -224.163 Base-Backbone interact. energy: -1.599 local terms energy: -343.904024 where: bonds (distance) C4'-P energy: -92.621 bonds (distance) P-C4' energy: -95.030 flat angles C4'-P-C4' energy: -89.917 flat angles P-C4'-P energy: -38.446 tors. eta vs tors. theta energy: -27.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -476.290684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.290684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.290684 (E_RNA) where: Base-Base interactions energy: -167.116 where: short stacking energy: -126.027 Base-Backbone interact. energy: -1.508 local terms energy: -307.666918 where: bonds (distance) C4'-P energy: -87.825 bonds (distance) P-C4' energy: -103.574 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: 18.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2105.362668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.362668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.362668 (E_RNA) where: Base-Base interactions energy: -1461.863 where: short stacking energy: -639.344 Base-Backbone interact. energy: -5.581 local terms energy: -637.918851 where: bonds (distance) C4'-P energy: -124.132 bonds (distance) P-C4' energy: -106.211 flat angles C4'-P-C4' energy: -140.482 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -192.546 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: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1957.552884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.552884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.552884 (E_RNA) where: Base-Base interactions energy: -1342.040 where: short stacking energy: -554.240 Base-Backbone interact. energy: -2.745 local terms energy: -612.768303 where: bonds (distance) C4'-P energy: -122.171 bonds (distance) P-C4' energy: -102.879 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -174.167 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: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1883.708721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.708721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.708721 (E_RNA) where: Base-Base interactions energy: -1298.827 where: short stacking energy: -537.749 Base-Backbone interact. energy: -3.316 local terms energy: -581.565497 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -105.014 flat angles C4'-P-C4' energy: -130.373 flat angles P-C4'-P energy: -89.742 tors. eta vs tors. theta energy: -142.995 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: 159 Temperature: 1.050000 Total energy: -1771.070365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.070365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.070365 (E_RNA) where: Base-Base interactions energy: -1217.992 where: short stacking energy: -510.778 Base-Backbone interact. energy: -2.418 local terms energy: -550.660559 where: bonds (distance) C4'-P energy: -106.542 bonds (distance) P-C4' energy: -112.045 flat angles C4'-P-C4' energy: -116.941 flat angles P-C4'-P energy: -75.573 tors. eta vs tors. theta energy: -139.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1612.017631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.017631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.017631 (E_RNA) where: Base-Base interactions energy: -1111.199 where: short stacking energy: -467.860 Base-Backbone interact. energy: -2.062 local terms energy: -498.756433 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -100.869 flat angles C4'-P-C4' energy: -110.815 flat angles P-C4'-P energy: -63.218 tors. eta vs tors. theta energy: -110.957 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: 6, replica: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1535.564208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.564208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.564208 (E_RNA) where: Base-Base interactions energy: -1037.563 where: short stacking energy: -459.127 Base-Backbone interact. energy: -0.965 local terms energy: -497.036218 where: bonds (distance) C4'-P energy: -90.683 bonds (distance) P-C4' energy: -99.941 flat angles C4'-P-C4' energy: -109.977 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -124.019 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: 159 Temperature: 1.200000 Total energy: -1224.488048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.488048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.488048 (E_RNA) where: Base-Base interactions energy: -748.945 where: short stacking energy: -334.980 Base-Backbone interact. energy: -2.413 local terms energy: -473.129890 where: bonds (distance) C4'-P energy: -111.666 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -97.098 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -79.016 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: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1052.998713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.998713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.998713 (E_RNA) where: Base-Base interactions energy: -657.360 where: short stacking energy: -308.727 Base-Backbone interact. energy: 1.901 local terms energy: -397.539117 where: bonds (distance) C4'-P energy: -94.813 bonds (distance) P-C4' energy: -98.153 flat angles C4'-P-C4' energy: -86.761 flat angles P-C4'-P energy: -67.640 tors. eta vs tors. theta energy: -50.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -851.314057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.314057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.314057 (E_RNA) where: Base-Base interactions energy: -462.455 where: short stacking energy: -220.356 Base-Backbone interact. energy: 0.834 local terms energy: -389.693585 where: bonds (distance) C4'-P energy: -95.237 bonds (distance) P-C4' energy: -107.401 flat angles C4'-P-C4' energy: -93.668 flat angles P-C4'-P energy: -68.939 tors. eta vs tors. theta energy: -24.449 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: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -474.578586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.578586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.578586 (E_RNA) where: Base-Base interactions energy: -154.805 where: short stacking energy: -127.674 Base-Backbone interact. energy: 0.774 local terms energy: -320.548068 where: bonds (distance) C4'-P energy: -100.887 bonds (distance) P-C4' energy: -107.083 flat angles C4'-P-C4' energy: -84.353 flat angles P-C4'-P energy: -43.997 tors. eta vs tors. theta energy: 15.772 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: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2097.492405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.492405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.492405 (E_RNA) where: Base-Base interactions energy: -1437.958 where: short stacking energy: -616.261 Base-Backbone interact. energy: -3.465 local terms energy: -656.069693 where: bonds (distance) C4'-P energy: -111.230 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -196.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1991.581106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.581106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.581106 (E_RNA) where: Base-Base interactions energy: -1352.319 where: short stacking energy: -561.258 Base-Backbone interact. energy: -2.586 local terms energy: -636.676909 where: bonds (distance) C4'-P energy: -114.706 bonds (distance) P-C4' energy: -126.043 flat angles C4'-P-C4' energy: -130.552 flat angles P-C4'-P energy: -92.732 tors. eta vs tors. theta energy: -172.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1888.562200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.562200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.562200 (E_RNA) where: Base-Base interactions energy: -1310.215 where: short stacking energy: -551.669 Base-Backbone interact. energy: -3.196 local terms energy: -575.151700 where: bonds (distance) C4'-P energy: -114.062 bonds (distance) P-C4' energy: -111.648 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -72.556 tors. eta vs tors. theta energy: -146.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1771.223751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.223751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.223751 (E_RNA) where: Base-Base interactions energy: -1214.311 where: short stacking energy: -502.463 Base-Backbone interact. energy: 0.662 local terms energy: -557.574210 where: bonds (distance) C4'-P energy: -106.578 bonds (distance) P-C4' energy: -111.936 flat angles C4'-P-C4' energy: -124.255 flat angles P-C4'-P energy: -71.350 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: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1634.162302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.162302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.162302 (E_RNA) where: Base-Base interactions energy: -1102.096 where: short stacking energy: -463.232 Base-Backbone interact. energy: 1.008 local terms energy: -533.073813 where: bonds (distance) C4'-P energy: -115.667 bonds (distance) P-C4' energy: -104.421 flat angles C4'-P-C4' energy: -120.350 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -133.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1551.779161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.779161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.779161 (E_RNA) where: Base-Base interactions energy: -1053.466 where: short stacking energy: -455.349 Base-Backbone interact. energy: -0.337 local terms energy: -497.977120 where: bonds (distance) C4'-P energy: -102.849 bonds (distance) P-C4' energy: -111.760 flat angles C4'-P-C4' energy: -98.025 flat angles P-C4'-P energy: -71.618 tors. eta vs tors. theta energy: -113.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1206.978768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.978768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.978768 (E_RNA) where: Base-Base interactions energy: -775.705 where: short stacking energy: -343.898 Base-Backbone interact. energy: -2.145 local terms energy: -429.128267 where: bonds (distance) C4'-P energy: -99.634 bonds (distance) P-C4' energy: -115.901 flat angles C4'-P-C4' energy: -94.387 flat angles P-C4'-P energy: -57.118 tors. eta vs tors. theta energy: -62.089 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: 160 Temperature: 1.250000 Total energy: -1049.643370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.643370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.643370 (E_RNA) where: Base-Base interactions energy: -631.081 where: short stacking energy: -286.069 Base-Backbone interact. energy: -2.931 local terms energy: -415.631494 where: bonds (distance) C4'-P energy: -102.223 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -116.572 flat angles P-C4'-P energy: -43.382 tors. eta vs tors. theta energy: -56.878 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: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -870.471533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.471533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.471533 (E_RNA) where: Base-Base interactions energy: -490.438 where: short stacking energy: -259.072 Base-Backbone interact. energy: -1.834 local terms energy: -378.199443 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -99.478 flat angles C4'-P-C4' energy: -105.231 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -34.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -510.357541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.357541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.357541 (E_RNA) where: Base-Base interactions energy: -203.993 where: short stacking energy: -125.637 Base-Backbone interact. energy: 1.927 local terms energy: -308.291543 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -102.519 flat angles C4'-P-C4' energy: -90.627 flat angles P-C4'-P energy: -40.777 tors. eta vs tors. theta energy: 23.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2099.459633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.459633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.459633 (E_RNA) where: Base-Base interactions energy: -1440.808 where: short stacking energy: -587.621 Base-Backbone interact. energy: -1.585 local terms energy: -657.066174 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -134.750 flat angles C4'-P-C4' energy: -136.083 flat angles P-C4'-P energy: -95.798 tors. eta vs tors. theta energy: -173.213 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: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1951.297860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.297860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.297860 (E_RNA) where: Base-Base interactions energy: -1343.891 where: short stacking energy: -589.135 Base-Backbone interact. energy: -3.346 local terms energy: -604.060864 where: bonds (distance) C4'-P energy: -97.827 bonds (distance) P-C4' energy: -119.292 flat angles C4'-P-C4' energy: -141.747 flat angles P-C4'-P energy: -87.211 tors. eta vs tors. theta energy: -157.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1907.019119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.019119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.019119 (E_RNA) where: Base-Base interactions energy: -1318.111 where: short stacking energy: -564.120 Base-Backbone interact. energy: -0.412 local terms energy: -588.495766 where: bonds (distance) C4'-P energy: -102.878 bonds (distance) P-C4' energy: -120.451 flat angles C4'-P-C4' energy: -126.024 flat angles P-C4'-P energy: -68.542 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: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1753.108191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.108191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.108191 (E_RNA) where: Base-Base interactions energy: -1192.133 where: short stacking energy: -491.947 Base-Backbone interact. energy: -3.305 local terms energy: -557.670530 where: bonds (distance) C4'-P energy: -100.877 bonds (distance) P-C4' energy: -113.108 flat angles C4'-P-C4' energy: -127.020 flat angles P-C4'-P energy: -72.797 tors. eta vs tors. theta energy: -143.869 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: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1607.671274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.671274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.671274 (E_RNA) where: Base-Base interactions energy: -1079.942 where: short stacking energy: -472.946 Base-Backbone interact. energy: -3.976 local terms energy: -523.752988 where: bonds (distance) C4'-P energy: -110.184 bonds (distance) P-C4' energy: -100.006 flat angles C4'-P-C4' energy: -117.859 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: -114.441 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: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1506.082962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.082962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.082962 (E_RNA) where: Base-Base interactions energy: -1023.718 where: short stacking energy: -455.196 Base-Backbone interact. energy: 3.164 local terms energy: -485.528469 where: bonds (distance) C4'-P energy: -97.222 bonds (distance) P-C4' energy: -103.548 flat angles C4'-P-C4' energy: -105.591 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -109.861 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: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1336.223649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.223649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.223649 (E_RNA) where: Base-Base interactions energy: -870.888 where: short stacking energy: -398.761 Base-Backbone interact. energy: 0.217 local terms energy: -465.551867 where: bonds (distance) C4'-P energy: -94.629 bonds (distance) P-C4' energy: -109.751 flat angles C4'-P-C4' energy: -92.762 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -102.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1038.618856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.618856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.618856 (E_RNA) where: Base-Base interactions energy: -606.488 where: short stacking energy: -283.896 Base-Backbone interact. energy: -2.863 local terms energy: -429.268721 where: bonds (distance) C4'-P energy: -113.012 bonds (distance) P-C4' energy: -109.537 flat angles C4'-P-C4' energy: -103.031 flat angles P-C4'-P energy: -64.265 tors. eta vs tors. theta energy: -39.424 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: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -805.652012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.652012 (E_RNA) where: Base-Base interactions energy: -456.368 where: short stacking energy: -223.967 Base-Backbone interact. energy: -1.001 local terms energy: -348.282175 where: bonds (distance) C4'-P energy: -81.740 bonds (distance) P-C4' energy: -102.933 flat angles C4'-P-C4' energy: -95.699 flat angles P-C4'-P energy: -51.938 tors. eta vs tors. theta energy: -15.972 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: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -515.596249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.596249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.596249 (E_RNA) where: Base-Base interactions energy: -202.299 where: short stacking energy: -129.379 Base-Backbone interact. energy: 5.151 local terms energy: -318.448241 where: bonds (distance) C4'-P energy: -105.845 bonds (distance) P-C4' energy: -95.435 flat angles C4'-P-C4' energy: -89.491 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: 12.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2103.316663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.316663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.316663 (E_RNA) where: Base-Base interactions energy: -1441.262 where: short stacking energy: -622.726 Base-Backbone interact. energy: -4.888 local terms energy: -657.166623 where: bonds (distance) C4'-P energy: -124.757 bonds (distance) P-C4' energy: -125.020 flat angles C4'-P-C4' energy: -137.496 flat angles P-C4'-P energy: -85.830 tors. eta vs tors. theta energy: -184.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1953.426105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.426105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.426105 (E_RNA) where: Base-Base interactions energy: -1362.584 where: short stacking energy: -587.130 Base-Backbone interact. energy: -2.443 local terms energy: -588.398918 where: bonds (distance) C4'-P energy: -118.804 bonds (distance) P-C4' energy: -106.476 flat angles C4'-P-C4' energy: -130.049 flat angles P-C4'-P energy: -87.942 tors. eta vs tors. theta energy: -145.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1915.001229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.001229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.001229 (E_RNA) where: Base-Base interactions energy: -1332.715 where: short stacking energy: -554.724 Base-Backbone interact. energy: -0.889 local terms energy: -581.397104 where: bonds (distance) C4'-P energy: -100.861 bonds (distance) P-C4' energy: -107.866 flat angles C4'-P-C4' energy: -130.900 flat angles P-C4'-P energy: -76.852 tors. eta vs tors. theta energy: -164.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1753.248013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.248013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.248013 (E_RNA) where: Base-Base interactions energy: -1164.208 where: short stacking energy: -497.104 Base-Backbone interact. energy: -5.221 local terms energy: -583.819041 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -120.822 flat angles C4'-P-C4' energy: -126.089 flat angles P-C4'-P energy: -84.170 tors. eta vs tors. theta energy: -156.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1613.419493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.419493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.419493 (E_RNA) where: Base-Base interactions energy: -1071.488 where: short stacking energy: -453.800 Base-Backbone interact. energy: -2.025 local terms energy: -539.906132 where: bonds (distance) C4'-P energy: -99.300 bonds (distance) P-C4' energy: -114.984 flat angles C4'-P-C4' energy: -113.004 flat angles P-C4'-P energy: -85.384 tors. eta vs tors. theta energy: -127.234 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: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1508.880745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.880745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.880745 (E_RNA) where: Base-Base interactions energy: -991.343 where: short stacking energy: -442.989 Base-Backbone interact. energy: -2.744 local terms energy: -514.793824 where: bonds (distance) C4'-P energy: -101.783 bonds (distance) P-C4' energy: -99.880 flat angles C4'-P-C4' energy: -125.152 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -117.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1308.723645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.723645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.723645 (E_RNA) where: Base-Base interactions energy: -845.822 where: short stacking energy: -396.933 Base-Backbone interact. energy: 1.577 local terms energy: -464.478514 where: bonds (distance) C4'-P energy: -106.436 bonds (distance) P-C4' energy: -98.087 flat angles C4'-P-C4' energy: -102.658 flat angles P-C4'-P energy: -60.036 tors. eta vs tors. theta energy: -97.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1086.028056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.028056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.028056 (E_RNA) where: Base-Base interactions energy: -666.863 where: short stacking energy: -321.881 Base-Backbone interact. energy: -1.943 local terms energy: -417.222058 where: bonds (distance) C4'-P energy: -116.791 bonds (distance) P-C4' energy: -103.990 flat angles C4'-P-C4' energy: -90.683 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -65.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -776.523755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.523755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.523755 (E_RNA) where: Base-Base interactions energy: -402.910 where: short stacking energy: -205.975 Base-Backbone interact. energy: -4.223 local terms energy: -369.390917 where: bonds (distance) C4'-P energy: -96.481 bonds (distance) P-C4' energy: -92.749 flat angles C4'-P-C4' energy: -110.085 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -7.936 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: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -487.092786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.092786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.092786 (E_RNA) where: Base-Base interactions energy: -179.781 where: short stacking energy: -113.967 Base-Backbone interact. energy: -1.314 local terms energy: -305.997134 where: bonds (distance) C4'-P energy: -91.233 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -104.347 flat angles P-C4'-P energy: -30.548 tors. eta vs tors. theta energy: 10.822 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: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2103.771899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.771899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.771899 (E_RNA) where: Base-Base interactions energy: -1457.508 where: short stacking energy: -622.599 Base-Backbone interact. energy: -2.704 local terms energy: -643.559884 where: bonds (distance) C4'-P energy: -112.574 bonds (distance) P-C4' energy: -127.264 flat angles C4'-P-C4' energy: -130.936 flat angles P-C4'-P energy: -84.080 tors. eta vs tors. theta energy: -188.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1959.496677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.496677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.496677 (E_RNA) where: Base-Base interactions energy: -1356.442 where: short stacking energy: -573.221 Base-Backbone interact. energy: -0.271 local terms energy: -602.783463 where: bonds (distance) C4'-P energy: -121.195 bonds (distance) P-C4' energy: -123.787 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -86.785 tors. eta vs tors. theta energy: -147.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1901.486859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.486859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.486859 (E_RNA) where: Base-Base interactions energy: -1300.880 where: short stacking energy: -531.658 Base-Backbone interact. energy: -1.814 local terms energy: -598.792260 where: bonds (distance) C4'-P energy: -99.228 bonds (distance) P-C4' energy: -121.555 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -96.273 tors. eta vs tors. theta energy: -164.615 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: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1836.983732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.983732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.983732 (E_RNA) where: Base-Base interactions energy: -1269.211 where: short stacking energy: -541.918 Base-Backbone interact. energy: 0.030 local terms energy: -567.803446 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -103.129 flat angles C4'-P-C4' energy: -112.048 flat angles P-C4'-P energy: -92.534 tors. eta vs tors. theta energy: -149.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1611.777260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.777260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.777260 (E_RNA) where: Base-Base interactions energy: -1075.260 where: short stacking energy: -481.381 Base-Backbone interact. energy: 0.146 local terms energy: -536.662517 where: bonds (distance) C4'-P energy: -119.130 bonds (distance) P-C4' energy: -100.881 flat angles C4'-P-C4' energy: -116.660 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: -122.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1497.984089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.984089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.984089 (E_RNA) where: Base-Base interactions energy: -985.633 where: short stacking energy: -405.580 Base-Backbone interact. energy: -0.273 local terms energy: -512.078503 where: bonds (distance) C4'-P energy: -108.603 bonds (distance) P-C4' energy: -108.493 flat angles C4'-P-C4' energy: -116.267 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -97.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1245.992662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.992662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.992662 (E_RNA) where: Base-Base interactions energy: -815.972 where: short stacking energy: -362.096 Base-Backbone interact. energy: 0.355 local terms energy: -430.376243 where: bonds (distance) C4'-P energy: -70.700 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -108.225 flat angles P-C4'-P energy: -64.253 tors. eta vs tors. theta energy: -89.623 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: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1149.820133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.820133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.820133 (E_RNA) where: Base-Base interactions energy: -745.692 where: short stacking energy: -358.584 Base-Backbone interact. energy: 0.778 local terms energy: -404.905685 where: bonds (distance) C4'-P energy: -93.726 bonds (distance) P-C4' energy: -85.149 flat angles C4'-P-C4' energy: -87.650 flat angles P-C4'-P energy: -70.148 tors. eta vs tors. theta energy: -68.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -857.732091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.732091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.732091 (E_RNA) where: Base-Base interactions energy: -476.288 where: short stacking energy: -253.999 Base-Backbone interact. energy: -2.609 local terms energy: -378.835561 where: bonds (distance) C4'-P energy: -116.620 bonds (distance) P-C4' energy: -105.545 flat angles C4'-P-C4' energy: -79.492 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -21.541 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: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -470.701038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.701038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.701038 (E_RNA) where: Base-Base interactions energy: -184.116 where: short stacking energy: -137.778 Base-Backbone interact. energy: -1.012 local terms energy: -285.573191 where: bonds (distance) C4'-P energy: -87.159 bonds (distance) P-C4' energy: -99.429 flat angles C4'-P-C4' energy: -64.119 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: 13.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2100.563936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.563936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.563936 (E_RNA) where: Base-Base interactions energy: -1455.535 where: short stacking energy: -605.773 Base-Backbone interact. energy: -0.082 local terms energy: -644.946843 where: bonds (distance) C4'-P energy: -108.414 bonds (distance) P-C4' energy: -119.810 flat angles C4'-P-C4' energy: -142.264 flat angles P-C4'-P energy: -94.345 tors. eta vs tors. theta energy: -180.114 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: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1944.183379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.183379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.183379 (E_RNA) where: Base-Base interactions energy: -1338.863 where: short stacking energy: -547.290 Base-Backbone interact. energy: -1.350 local terms energy: -603.970353 where: bonds (distance) C4'-P energy: -115.288 bonds (distance) P-C4' energy: -118.715 flat angles C4'-P-C4' energy: -131.925 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -149.328 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: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1930.507912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.507912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.507912 (E_RNA) where: Base-Base interactions energy: -1305.871 where: short stacking energy: -544.943 Base-Backbone interact. energy: -3.208 local terms energy: -621.428578 where: bonds (distance) C4'-P energy: -114.572 bonds (distance) P-C4' energy: -122.965 flat angles C4'-P-C4' energy: -130.985 flat angles P-C4'-P energy: -85.760 tors. eta vs tors. theta energy: -167.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1806.493182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.493182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.493182 (E_RNA) where: Base-Base interactions energy: -1265.307 where: short stacking energy: -529.046 Base-Backbone interact. energy: -1.447 local terms energy: -539.739289 where: bonds (distance) C4'-P energy: -92.222 bonds (distance) P-C4' energy: -114.078 flat angles C4'-P-C4' energy: -113.992 flat angles P-C4'-P energy: -69.447 tors. eta vs tors. theta energy: -150.000 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: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1547.310432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.310432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.310432 (E_RNA) where: Base-Base interactions energy: -1017.175 where: short stacking energy: -469.737 Base-Backbone interact. energy: -0.019 local terms energy: -530.115542 where: bonds (distance) C4'-P energy: -104.714 bonds (distance) P-C4' energy: -112.168 flat angles C4'-P-C4' energy: -118.561 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -120.342 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: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1607.503587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.503587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.503587 (E_RNA) where: Base-Base interactions energy: -1082.004 where: short stacking energy: -461.353 Base-Backbone interact. energy: -0.638 local terms energy: -524.861838 where: bonds (distance) C4'-P energy: -83.615 bonds (distance) P-C4' energy: -105.367 flat angles C4'-P-C4' energy: -115.753 flat angles P-C4'-P energy: -90.629 tors. eta vs tors. theta energy: -129.498 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: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1272.449392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.449392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.449392 (E_RNA) where: Base-Base interactions energy: -812.314 where: short stacking energy: -336.495 Base-Backbone interact. energy: -0.437 local terms energy: -459.698659 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -111.113 flat angles C4'-P-C4' energy: -87.416 flat angles P-C4'-P energy: -67.808 tors. eta vs tors. theta energy: -85.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1121.236714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.236714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.236714 (E_RNA) where: Base-Base interactions energy: -692.801 where: short stacking energy: -307.610 Base-Backbone interact. energy: -1.799 local terms energy: -426.636875 where: bonds (distance) C4'-P energy: -83.869 bonds (distance) P-C4' energy: -109.017 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -61.454 tors. eta vs tors. theta energy: -70.133 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: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -791.594872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.594872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.594872 (E_RNA) where: Base-Base interactions energy: -456.048 where: short stacking energy: -234.329 Base-Backbone interact. energy: -2.517 local terms energy: -333.030236 where: bonds (distance) C4'-P energy: -84.521 bonds (distance) P-C4' energy: -97.776 flat angles C4'-P-C4' energy: -90.373 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -16.583 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: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -477.330216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.330216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.330216 (E_RNA) where: Base-Base interactions energy: -173.655 where: short stacking energy: -148.043 Base-Backbone interact. energy: 3.766 local terms energy: -307.440559 where: bonds (distance) C4'-P energy: -90.204 bonds (distance) P-C4' energy: -95.483 flat angles C4'-P-C4' energy: -64.185 flat angles P-C4'-P energy: -54.772 tors. eta vs tors. theta energy: -2.796 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: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2083.250295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.250295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.250295 (E_RNA) where: Base-Base interactions energy: -1434.374 where: short stacking energy: -588.336 Base-Backbone interact. energy: -3.487 local terms energy: -645.389502 where: bonds (distance) C4'-P energy: -122.759 bonds (distance) P-C4' energy: -120.603 flat angles C4'-P-C4' energy: -142.740 flat angles P-C4'-P energy: -76.590 tors. eta vs tors. theta energy: -182.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1933.922562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.922562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.922562 (E_RNA) where: Base-Base interactions energy: -1303.728 where: short stacking energy: -562.796 Base-Backbone interact. energy: -1.873 local terms energy: -628.321644 where: bonds (distance) C4'-P energy: -122.089 bonds (distance) P-C4' energy: -124.779 flat angles C4'-P-C4' energy: -138.750 flat angles P-C4'-P energy: -91.968 tors. eta vs tors. theta energy: -150.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1926.122625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.122625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.122625 (E_RNA) where: Base-Base interactions energy: -1311.086 where: short stacking energy: -537.885 Base-Backbone interact. energy: -3.331 local terms energy: -611.705495 where: bonds (distance) C4'-P energy: -116.353 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -126.211 flat angles P-C4'-P energy: -82.863 tors. eta vs tors. theta energy: -160.015 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: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1821.876566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.876566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.876566 (E_RNA) where: Base-Base interactions energy: -1241.525 where: short stacking energy: -547.504 Base-Backbone interact. energy: -1.651 local terms energy: -578.700568 where: bonds (distance) C4'-P energy: -102.672 bonds (distance) P-C4' energy: -110.445 flat angles C4'-P-C4' energy: -123.604 flat angles P-C4'-P energy: -69.857 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: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1553.066386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.066386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.066386 (E_RNA) where: Base-Base interactions energy: -1019.079 where: short stacking energy: -433.967 Base-Backbone interact. energy: -2.876 local terms energy: -531.110752 where: bonds (distance) C4'-P energy: -110.251 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -111.367 flat angles P-C4'-P energy: -73.888 tors. eta vs tors. theta energy: -114.948 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: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1599.655944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.655944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.655944 (E_RNA) where: Base-Base interactions energy: -1074.750 where: short stacking energy: -449.397 Base-Backbone interact. energy: -2.168 local terms energy: -522.737598 where: bonds (distance) C4'-P energy: -93.917 bonds (distance) P-C4' energy: -109.492 flat angles C4'-P-C4' energy: -115.391 flat angles P-C4'-P energy: -76.825 tors. eta vs tors. theta energy: -127.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1299.809011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.809011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.809011 (E_RNA) where: Base-Base interactions energy: -834.749 where: short stacking energy: -376.452 Base-Backbone interact. energy: -0.572 local terms energy: -464.488065 where: bonds (distance) C4'-P energy: -97.302 bonds (distance) P-C4' energy: -110.349 flat angles C4'-P-C4' energy: -87.513 flat angles P-C4'-P energy: -79.444 tors. eta vs tors. theta energy: -89.880 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: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1151.430012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.430012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.430012 (E_RNA) where: Base-Base interactions energy: -701.567 where: short stacking energy: -314.008 Base-Backbone interact. energy: -1.781 local terms energy: -448.081844 where: bonds (distance) C4'-P energy: -87.997 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -100.077 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -78.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -787.170049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.170049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.170049 (E_RNA) where: Base-Base interactions energy: -451.342 where: short stacking energy: -231.263 Base-Backbone interact. energy: -0.683 local terms energy: -335.144282 where: bonds (distance) C4'-P energy: -84.297 bonds (distance) P-C4' energy: -74.919 flat angles C4'-P-C4' energy: -95.238 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -23.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -468.583403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.583403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.583403 (E_RNA) where: Base-Base interactions energy: -144.741 where: short stacking energy: -119.121 Base-Backbone interact. energy: -0.634 local terms energy: -323.208378 where: bonds (distance) C4'-P energy: -99.394 bonds (distance) P-C4' energy: -95.724 flat angles C4'-P-C4' energy: -101.894 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: 18.950 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: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2077.361795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.361795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.361795 (E_RNA) where: Base-Base interactions energy: -1420.010 where: short stacking energy: -617.059 Base-Backbone interact. energy: -3.404 local terms energy: -653.947854 where: bonds (distance) C4'-P energy: -99.966 bonds (distance) P-C4' energy: -135.570 flat angles C4'-P-C4' energy: -145.661 flat angles P-C4'-P energy: -91.059 tors. eta vs tors. theta energy: -181.692 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: 166 Temperature: 0.950000 Total energy: -1880.585166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.585166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.585166 (E_RNA) where: Base-Base interactions energy: -1285.274 where: short stacking energy: -535.039 Base-Backbone interact. energy: -2.273 local terms energy: -593.038208 where: bonds (distance) C4'-P energy: -107.553 bonds (distance) P-C4' energy: -127.692 flat angles C4'-P-C4' energy: -118.262 flat angles P-C4'-P energy: -101.027 tors. eta vs tors. theta energy: -138.504 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: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1926.964981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.964981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.964981 (E_RNA) where: Base-Base interactions energy: -1329.452 where: short stacking energy: -549.394 Base-Backbone interact. energy: -1.299 local terms energy: -596.214252 where: bonds (distance) C4'-P energy: -119.178 bonds (distance) P-C4' energy: -109.657 flat angles C4'-P-C4' energy: -126.825 flat angles P-C4'-P energy: -78.937 tors. eta vs tors. theta energy: -161.617 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: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1777.686489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.686489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.686489 (E_RNA) where: Base-Base interactions energy: -1217.580 where: short stacking energy: -519.901 Base-Backbone interact. energy: -2.451 local terms energy: -557.655170 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -100.204 flat angles C4'-P-C4' energy: -115.817 flat angles P-C4'-P energy: -81.039 tors. eta vs tors. theta energy: -144.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1689.392247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.392247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.392247 (E_RNA) where: Base-Base interactions energy: -1129.320 where: short stacking energy: -505.544 Base-Backbone interact. energy: -2.414 local terms energy: -557.658067 where: bonds (distance) C4'-P energy: -96.384 bonds (distance) P-C4' energy: -108.140 flat angles C4'-P-C4' energy: -130.521 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -133.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1533.587939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.587939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.587939 (E_RNA) where: Base-Base interactions energy: -1061.758 where: short stacking energy: -460.002 Base-Backbone interact. energy: -1.045 local terms energy: -470.784638 where: bonds (distance) C4'-P energy: -95.279 bonds (distance) P-C4' energy: -83.920 flat angles C4'-P-C4' energy: -109.329 flat angles P-C4'-P energy: -71.793 tors. eta vs tors. theta energy: -110.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1337.181276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.181276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.181276 (E_RNA) where: Base-Base interactions energy: -870.446 where: short stacking energy: -408.432 Base-Backbone interact. energy: -0.959 local terms energy: -465.775660 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -89.207 flat angles C4'-P-C4' energy: -113.310 flat angles P-C4'-P energy: -58.352 tors. eta vs tors. theta energy: -113.940 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: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1050.163197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.163197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.163197 (E_RNA) where: Base-Base interactions energy: -608.091 where: short stacking energy: -304.968 Base-Backbone interact. energy: 0.759 local terms energy: -442.830773 where: bonds (distance) C4'-P energy: -91.065 bonds (distance) P-C4' energy: -102.878 flat angles C4'-P-C4' energy: -94.917 flat angles P-C4'-P energy: -80.795 tors. eta vs tors. theta energy: -73.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -841.986594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.986594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.986594 (E_RNA) where: Base-Base interactions energy: -499.224 where: short stacking energy: -230.578 Base-Backbone interact. energy: 2.427 local terms energy: -345.189920 where: bonds (distance) C4'-P energy: -89.682 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -85.686 flat angles P-C4'-P energy: -54.390 tors. eta vs tors. theta energy: -6.788 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: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -475.419708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.419708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.419708 (E_RNA) where: Base-Base interactions energy: -166.153 where: short stacking energy: -136.951 Base-Backbone interact. energy: 2.770 local terms energy: -312.035766 where: bonds (distance) C4'-P energy: -92.302 bonds (distance) P-C4' energy: -111.282 flat angles C4'-P-C4' energy: -83.542 flat angles P-C4'-P energy: -47.064 tors. eta vs tors. theta energy: 22.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2079.779710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.779710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.779710 (E_RNA) where: Base-Base interactions energy: -1427.423 where: short stacking energy: -634.862 Base-Backbone interact. energy: -3.635 local terms energy: -648.721624 where: bonds (distance) C4'-P energy: -128.833 bonds (distance) P-C4' energy: -112.894 flat angles C4'-P-C4' energy: -135.552 flat angles P-C4'-P energy: -79.482 tors. eta vs tors. theta energy: -191.961 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: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1947.614900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.614900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.614900 (E_RNA) where: Base-Base interactions energy: -1337.160 where: short stacking energy: -552.797 Base-Backbone interact. energy: -3.700 local terms energy: -606.755324 where: bonds (distance) C4'-P energy: -107.036 bonds (distance) P-C4' energy: -123.146 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -87.236 tors. eta vs tors. theta energy: -157.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1856.261329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.261329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.261329 (E_RNA) where: Base-Base interactions energy: -1300.262 where: short stacking energy: -521.683 Base-Backbone interact. energy: -5.769 local terms energy: -550.230558 where: bonds (distance) C4'-P energy: -103.076 bonds (distance) P-C4' energy: -113.286 flat angles C4'-P-C4' energy: -116.718 flat angles P-C4'-P energy: -86.622 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: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1803.947547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.947547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.947547 (E_RNA) where: Base-Base interactions energy: -1263.113 where: short stacking energy: -533.025 Base-Backbone interact. energy: -3.516 local terms energy: -537.318947 where: bonds (distance) C4'-P energy: -91.127 bonds (distance) P-C4' energy: -80.344 flat angles C4'-P-C4' energy: -135.165 flat angles P-C4'-P energy: -79.203 tors. eta vs tors. theta energy: -151.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1687.671863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.671863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.671863 (E_RNA) where: Base-Base interactions energy: -1159.588 where: short stacking energy: -505.417 Base-Backbone interact. energy: -3.893 local terms energy: -524.191454 where: bonds (distance) C4'-P energy: -91.242 bonds (distance) P-C4' energy: -113.751 flat angles C4'-P-C4' energy: -111.243 flat angles P-C4'-P energy: -69.859 tors. eta vs tors. theta energy: -138.097 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: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1481.579507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.579507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.579507 (E_RNA) where: Base-Base interactions energy: -990.161 where: short stacking energy: -425.886 Base-Backbone interact. energy: -3.747 local terms energy: -487.671938 where: bonds (distance) C4'-P energy: -108.512 bonds (distance) P-C4' energy: -100.164 flat angles C4'-P-C4' energy: -106.146 flat angles P-C4'-P energy: -77.657 tors. eta vs tors. theta energy: -95.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1376.443443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.443443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.443443 (E_RNA) where: Base-Base interactions energy: -917.465 where: short stacking energy: -393.964 Base-Backbone interact. energy: -0.503 local terms energy: -458.475885 where: bonds (distance) C4'-P energy: -90.218 bonds (distance) P-C4' energy: -87.160 flat angles C4'-P-C4' energy: -109.152 flat angles P-C4'-P energy: -69.709 tors. eta vs tors. theta energy: -102.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1006.298023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.298023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.298023 (E_RNA) where: Base-Base interactions energy: -598.511 where: short stacking energy: -267.454 Base-Backbone interact. energy: 0.355 local terms energy: -408.142299 where: bonds (distance) C4'-P energy: -93.125 bonds (distance) P-C4' energy: -115.282 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -56.708 tors. eta vs tors. theta energy: -47.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -750.846343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.846343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.846343 (E_RNA) where: Base-Base interactions energy: -378.170 where: short stacking energy: -198.876 Base-Backbone interact. energy: -0.616 local terms energy: -372.059866 where: bonds (distance) C4'-P energy: -109.009 bonds (distance) P-C4' energy: -90.626 flat angles C4'-P-C4' energy: -100.771 flat angles P-C4'-P energy: -58.371 tors. eta vs tors. theta energy: -13.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -476.000951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.000951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.000951 (E_RNA) where: Base-Base interactions energy: -167.803 where: short stacking energy: -155.219 Base-Backbone interact. energy: 5.164 local terms energy: -313.362520 where: bonds (distance) C4'-P energy: -89.845 bonds (distance) P-C4' energy: -109.918 flat angles C4'-P-C4' energy: -76.160 flat angles P-C4'-P energy: -39.909 tors. eta vs tors. theta energy: 2.470 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: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2081.197820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.197820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.197820 (E_RNA) where: Base-Base interactions energy: -1439.517 where: short stacking energy: -616.376 Base-Backbone interact. energy: -3.616 local terms energy: -638.064095 where: bonds (distance) C4'-P energy: -110.086 bonds (distance) P-C4' energy: -118.749 flat angles C4'-P-C4' energy: -123.775 flat angles P-C4'-P energy: -93.013 tors. eta vs tors. theta energy: -192.442 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: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1948.013606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.013606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.013606 (E_RNA) where: Base-Base interactions energy: -1308.169 where: short stacking energy: -566.060 Base-Backbone interact. energy: 0.995 local terms energy: -640.839908 where: bonds (distance) C4'-P energy: -120.032 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -137.360 flat angles P-C4'-P energy: -87.121 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: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1820.459145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.459145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.459145 (E_RNA) where: Base-Base interactions energy: -1296.536 where: short stacking energy: -532.485 Base-Backbone interact. energy: -1.059 local terms energy: -522.863843 where: bonds (distance) C4'-P energy: -105.273 bonds (distance) P-C4' energy: -100.660 flat angles C4'-P-C4' energy: -116.157 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -125.272 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: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1751.583685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.583685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.583685 (E_RNA) where: Base-Base interactions energy: -1191.015 where: short stacking energy: -505.718 Base-Backbone interact. energy: 1.950 local terms energy: -562.519077 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -122.945 flat angles C4'-P-C4' energy: -123.251 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -134.311 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: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1700.604915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.604915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.604915 (E_RNA) where: Base-Base interactions energy: -1165.251 where: short stacking energy: -489.252 Base-Backbone interact. energy: -2.240 local terms energy: -533.113824 where: bonds (distance) C4'-P energy: -113.665 bonds (distance) P-C4' energy: -94.254 flat angles C4'-P-C4' energy: -114.287 flat angles P-C4'-P energy: -79.191 tors. eta vs tors. theta energy: -131.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1453.308090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.308090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.308090 (E_RNA) where: Base-Base interactions energy: -977.965 where: short stacking energy: -413.286 Base-Backbone interact. energy: 5.469 local terms energy: -480.812141 where: bonds (distance) C4'-P energy: -92.698 bonds (distance) P-C4' energy: -94.985 flat angles C4'-P-C4' energy: -115.439 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -105.275 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: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1409.952394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.952394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.952394 (E_RNA) where: Base-Base interactions energy: -958.983 where: short stacking energy: -412.282 Base-Backbone interact. energy: -0.617 local terms energy: -450.351709 where: bonds (distance) C4'-P energy: -92.302 bonds (distance) P-C4' energy: -88.319 flat angles C4'-P-C4' energy: -112.726 flat angles P-C4'-P energy: -52.487 tors. eta vs tors. theta energy: -104.518 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -991.806990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.806990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.806990 (E_RNA) where: Base-Base interactions energy: -637.479 where: short stacking energy: -307.958 Base-Backbone interact. energy: 5.478 local terms energy: -359.805933 where: bonds (distance) C4'-P energy: -91.696 bonds (distance) P-C4' energy: -103.952 flat angles C4'-P-C4' energy: -79.807 flat angles P-C4'-P energy: -49.085 tors. eta vs tors. theta energy: -35.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -747.659622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.659622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.659622 (E_RNA) where: Base-Base interactions energy: -387.120 where: short stacking energy: -221.656 Base-Backbone interact. energy: -1.488 local terms energy: -359.051191 where: bonds (distance) C4'-P energy: -93.536 bonds (distance) P-C4' energy: -97.640 flat angles C4'-P-C4' energy: -93.078 flat angles P-C4'-P energy: -52.503 tors. eta vs tors. theta energy: -22.294 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: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -499.105966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.105966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.105966 (E_RNA) where: Base-Base interactions energy: -219.294 where: short stacking energy: -176.319 Base-Backbone interact. energy: 5.412 local terms energy: -285.223888 where: bonds (distance) C4'-P energy: -78.756 bonds (distance) P-C4' energy: -81.346 flat angles C4'-P-C4' energy: -110.747 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: 22.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2129.473551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.473551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.473551 (E_RNA) where: Base-Base interactions energy: -1476.192 where: short stacking energy: -632.885 Base-Backbone interact. energy: 0.187 local terms energy: -653.468911 where: bonds (distance) C4'-P energy: -109.587 bonds (distance) P-C4' energy: -120.418 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -92.576 tors. eta vs tors. theta energy: -185.944 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: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2004.713719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.713719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.713719 (E_RNA) where: Base-Base interactions energy: -1352.957 where: short stacking energy: -583.344 Base-Backbone interact. energy: -2.596 local terms energy: -649.160232 where: bonds (distance) C4'-P energy: -114.648 bonds (distance) P-C4' energy: -126.726 flat angles C4'-P-C4' energy: -123.282 flat angles P-C4'-P energy: -108.553 tors. eta vs tors. theta energy: -175.952 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1831.783372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.783372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.783372 (E_RNA) where: Base-Base interactions energy: -1254.772 where: short stacking energy: -536.117 Base-Backbone interact. energy: -1.314 local terms energy: -575.697455 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -118.786 flat angles C4'-P-C4' energy: -129.161 flat angles P-C4'-P energy: -76.405 tors. eta vs tors. theta energy: -143.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1760.151642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.151642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.151642 (E_RNA) where: Base-Base interactions energy: -1200.558 where: short stacking energy: -527.281 Base-Backbone interact. energy: -0.048 local terms energy: -559.545650 where: bonds (distance) C4'-P energy: -115.618 bonds (distance) P-C4' energy: -103.586 flat angles C4'-P-C4' energy: -124.078 flat angles P-C4'-P energy: -70.796 tors. eta vs tors. theta energy: -145.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1647.526396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.526396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.526396 (E_RNA) where: Base-Base interactions energy: -1112.684 where: short stacking energy: -491.596 Base-Backbone interact. energy: -2.936 local terms energy: -531.906372 where: bonds (distance) C4'-P energy: -104.488 bonds (distance) P-C4' energy: -108.377 flat angles C4'-P-C4' energy: -113.293 flat angles P-C4'-P energy: -75.445 tors. eta vs tors. theta energy: -130.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1476.172383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.172383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.172383 (E_RNA) where: Base-Base interactions energy: -975.516 where: short stacking energy: -396.862 Base-Backbone interact. energy: -4.147 local terms energy: -496.509717 where: bonds (distance) C4'-P energy: -101.807 bonds (distance) P-C4' energy: -113.744 flat angles C4'-P-C4' energy: -116.973 flat angles P-C4'-P energy: -61.816 tors. eta vs tors. theta energy: -102.169 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: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1459.512591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.512591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.512591 (E_RNA) where: Base-Base interactions energy: -962.792 where: short stacking energy: -398.397 Base-Backbone interact. energy: 0.968 local terms energy: -497.688509 where: bonds (distance) C4'-P energy: -106.486 bonds (distance) P-C4' energy: -115.056 flat angles C4'-P-C4' energy: -111.510 flat angles P-C4'-P energy: -63.986 tors. eta vs tors. theta energy: -100.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1032.346394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.346394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.346394 (E_RNA) where: Base-Base interactions energy: -624.472 where: short stacking energy: -311.930 Base-Backbone interact. energy: -0.727 local terms energy: -407.147388 where: bonds (distance) C4'-P energy: -92.481 bonds (distance) P-C4' energy: -98.336 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -59.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -774.008473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.008473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.008473 (E_RNA) where: Base-Base interactions energy: -397.093 where: short stacking energy: -226.017 Base-Backbone interact. energy: -3.199 local terms energy: -373.716031 where: bonds (distance) C4'-P energy: -102.839 bonds (distance) P-C4' energy: -100.275 flat angles C4'-P-C4' energy: -85.079 flat angles P-C4'-P energy: -66.489 tors. eta vs tors. theta energy: -19.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -527.622084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.622084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.622084 (E_RNA) where: Base-Base interactions energy: -225.164 where: short stacking energy: -169.518 Base-Backbone interact. energy: -1.620 local terms energy: -300.838506 where: bonds (distance) C4'-P energy: -103.042 bonds (distance) P-C4' energy: -89.162 flat angles C4'-P-C4' energy: -84.302 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: 15.820 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: 170 Temperature: 0.900000 Total energy: -2117.298957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.298957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.298957 (E_RNA) where: Base-Base interactions energy: -1483.154 where: short stacking energy: -627.086 Base-Backbone interact. energy: -2.465 local terms energy: -631.680418 where: bonds (distance) C4'-P energy: -116.605 bonds (distance) P-C4' energy: -119.874 flat angles C4'-P-C4' energy: -123.375 flat angles P-C4'-P energy: -85.047 tors. eta vs tors. theta energy: -186.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2016.093149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.093149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.093149 (E_RNA) where: Base-Base interactions energy: -1399.007 where: short stacking energy: -615.336 Base-Backbone interact. energy: -0.923 local terms energy: -616.162788 where: bonds (distance) C4'-P energy: -113.630 bonds (distance) P-C4' energy: -102.906 flat angles C4'-P-C4' energy: -135.666 flat angles P-C4'-P energy: -87.453 tors. eta vs tors. theta energy: -176.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1873.717455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.717455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.717455 (E_RNA) where: Base-Base interactions energy: -1304.440 where: short stacking energy: -559.885 Base-Backbone interact. energy: -0.463 local terms energy: -568.814491 where: bonds (distance) C4'-P energy: -104.566 bonds (distance) P-C4' energy: -108.962 flat angles C4'-P-C4' energy: -128.267 flat angles P-C4'-P energy: -84.332 tors. eta vs tors. theta energy: -142.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1756.669553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.669553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.669553 (E_RNA) where: Base-Base interactions energy: -1211.538 where: short stacking energy: -519.082 Base-Backbone interact. energy: 4.450 local terms energy: -549.581744 where: bonds (distance) C4'-P energy: -96.102 bonds (distance) P-C4' energy: -100.319 flat angles C4'-P-C4' energy: -126.792 flat angles P-C4'-P energy: -81.907 tors. eta vs tors. theta energy: -144.462 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: 170 Temperature: 1.100000 Total energy: -1701.806042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.806042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.806042 (E_RNA) where: Base-Base interactions energy: -1168.997 where: short stacking energy: -516.342 Base-Backbone interact. energy: 1.305 local terms energy: -534.114298 where: bonds (distance) C4'-P energy: -93.227 bonds (distance) P-C4' energy: -112.868 flat angles C4'-P-C4' energy: -135.699 flat angles P-C4'-P energy: -62.943 tors. eta vs tors. theta energy: -129.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1425.332672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.332672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.332672 (E_RNA) where: Base-Base interactions energy: -938.709 where: short stacking energy: -414.094 Base-Backbone interact. energy: 0.607 local terms energy: -487.230343 where: bonds (distance) C4'-P energy: -99.682 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -123.611 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -97.092 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: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1363.257770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.257770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.257770 (E_RNA) where: Base-Base interactions energy: -931.310 where: short stacking energy: -400.309 Base-Backbone interact. energy: 5.319 local terms energy: -437.266365 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -89.198 flat angles C4'-P-C4' energy: -94.826 flat angles P-C4'-P energy: -66.019 tors. eta vs tors. theta energy: -98.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1048.272695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.272695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.272695 (E_RNA) where: Base-Base interactions energy: -617.140 where: short stacking energy: -298.688 Base-Backbone interact. energy: -1.644 local terms energy: -429.489525 where: bonds (distance) C4'-P energy: -104.957 bonds (distance) P-C4' energy: -92.573 flat angles C4'-P-C4' energy: -108.884 flat angles P-C4'-P energy: -58.992 tors. eta vs tors. theta energy: -64.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -747.058161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.058161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.058161 (E_RNA) where: Base-Base interactions energy: -409.357 where: short stacking energy: -196.444 Base-Backbone interact. energy: -0.514 local terms energy: -337.187123 where: bonds (distance) C4'-P energy: -75.580 bonds (distance) P-C4' energy: -95.926 flat angles C4'-P-C4' energy: -96.292 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -517.994091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.994091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.994091 (E_RNA) where: Base-Base interactions energy: -218.375 where: short stacking energy: -149.232 Base-Backbone interact. energy: -2.165 local terms energy: -297.454076 where: bonds (distance) C4'-P energy: -93.644 bonds (distance) P-C4' energy: -108.627 flat angles C4'-P-C4' energy: -82.189 flat angles P-C4'-P energy: -29.035 tors. eta vs tors. theta energy: 16.040 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: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2100.514556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.514556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.514556 (E_RNA) where: Base-Base interactions energy: -1448.014 where: short stacking energy: -594.815 Base-Backbone interact. energy: -4.367 local terms energy: -648.133418 where: bonds (distance) C4'-P energy: -119.931 bonds (distance) P-C4' energy: -116.159 flat angles C4'-P-C4' energy: -137.701 flat angles P-C4'-P energy: -83.985 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: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2005.199133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.199133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.199133 (E_RNA) where: Base-Base interactions energy: -1386.477 where: short stacking energy: -585.912 Base-Backbone interact. energy: 7.029 local terms energy: -625.751281 where: bonds (distance) C4'-P energy: -121.887 bonds (distance) P-C4' energy: -105.536 flat angles C4'-P-C4' energy: -135.578 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -179.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1857.327708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.327708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.327708 (E_RNA) where: Base-Base interactions energy: -1266.742 where: short stacking energy: -537.252 Base-Backbone interact. energy: -1.876 local terms energy: -588.709358 where: bonds (distance) C4'-P energy: -113.076 bonds (distance) P-C4' energy: -126.672 flat angles C4'-P-C4' energy: -125.019 flat angles P-C4'-P energy: -85.445 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: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1788.632962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.632962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.632962 (E_RNA) where: Base-Base interactions energy: -1224.138 where: short stacking energy: -498.904 Base-Backbone interact. energy: -7.190 local terms energy: -557.304233 where: bonds (distance) C4'-P energy: -113.854 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -121.047 flat angles P-C4'-P energy: -69.367 tors. eta vs tors. theta energy: -141.530 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: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1728.569821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.569821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.569821 (E_RNA) where: Base-Base interactions energy: -1173.581 where: short stacking energy: -528.733 Base-Backbone interact. energy: -2.104 local terms energy: -552.885494 where: bonds (distance) C4'-P energy: -118.026 bonds (distance) P-C4' energy: -101.031 flat angles C4'-P-C4' energy: -124.018 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: -135.757 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: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1437.120383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.120383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.120383 (E_RNA) where: Base-Base interactions energy: -943.784 where: short stacking energy: -418.732 Base-Backbone interact. energy: -2.286 local terms energy: -491.050190 where: bonds (distance) C4'-P energy: -111.559 bonds (distance) P-C4' energy: -94.178 flat angles C4'-P-C4' energy: -118.838 flat angles P-C4'-P energy: -70.798 tors. eta vs tors. theta energy: -95.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1382.289284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.289284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.289284 (E_RNA) where: Base-Base interactions energy: -938.127 where: short stacking energy: -404.164 Base-Backbone interact. energy: 7.354 local terms energy: -451.516517 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -88.627 flat angles C4'-P-C4' energy: -97.622 flat angles P-C4'-P energy: -68.825 tors. eta vs tors. theta energy: -96.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1023.322635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.322635 (E_RNA) where: Base-Base interactions energy: -658.461 where: short stacking energy: -300.617 Base-Backbone interact. energy: 0.531 local terms energy: -365.393433 where: bonds (distance) C4'-P energy: -104.609 bonds (distance) P-C4' energy: -95.581 flat angles C4'-P-C4' energy: -91.704 flat angles P-C4'-P energy: -38.256 tors. eta vs tors. theta energy: -35.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -709.706633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.706633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.706633 (E_RNA) where: Base-Base interactions energy: -372.411 where: short stacking energy: -184.203 Base-Backbone interact. energy: 0.366 local terms energy: -337.661437 where: bonds (distance) C4'-P energy: -99.353 bonds (distance) P-C4' energy: -90.924 flat angles C4'-P-C4' energy: -81.223 flat angles P-C4'-P energy: -54.429 tors. eta vs tors. theta energy: -11.732 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: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -511.818812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.818812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.818812 (E_RNA) where: Base-Base interactions energy: -191.615 where: short stacking energy: -129.158 Base-Backbone interact. energy: 0.848 local terms energy: -321.051056 where: bonds (distance) C4'-P energy: -77.168 bonds (distance) P-C4' energy: -97.360 flat angles C4'-P-C4' energy: -108.708 flat angles P-C4'-P energy: -56.010 tors. eta vs tors. theta energy: 18.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2107.763442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.763442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.763442 (E_RNA) where: Base-Base interactions energy: -1467.420 where: short stacking energy: -592.890 Base-Backbone interact. energy: -2.408 local terms energy: -637.935127 where: bonds (distance) C4'-P energy: -120.713 bonds (distance) P-C4' energy: -112.795 flat angles C4'-P-C4' energy: -128.217 flat angles P-C4'-P energy: -95.365 tors. eta vs tors. theta energy: -180.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1993.452461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.452461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.452461 (E_RNA) where: Base-Base interactions energy: -1361.210 where: short stacking energy: -544.057 Base-Backbone interact. energy: -3.388 local terms energy: -628.854653 where: bonds (distance) C4'-P energy: -117.596 bonds (distance) P-C4' energy: -114.905 flat angles C4'-P-C4' energy: -135.573 flat angles P-C4'-P energy: -90.681 tors. eta vs tors. theta energy: -170.099 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: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1855.948503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.948503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.948503 (E_RNA) where: Base-Base interactions energy: -1277.548 where: short stacking energy: -521.189 Base-Backbone interact. energy: -2.529 local terms energy: -575.870945 where: bonds (distance) C4'-P energy: -112.091 bonds (distance) P-C4' energy: -104.749 flat angles C4'-P-C4' energy: -127.042 flat angles P-C4'-P energy: -92.419 tors. eta vs tors. theta energy: -139.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1787.804845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.804845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.804845 (E_RNA) where: Base-Base interactions energy: -1210.731 where: short stacking energy: -509.337 Base-Backbone interact. energy: -2.190 local terms energy: -574.884065 where: bonds (distance) C4'-P energy: -101.203 bonds (distance) P-C4' energy: -127.685 flat angles C4'-P-C4' energy: -123.728 flat angles P-C4'-P energy: -76.654 tors. eta vs tors. theta energy: -145.613 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: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1691.368417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.368417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.368417 (E_RNA) where: Base-Base interactions energy: -1153.445 where: short stacking energy: -501.907 Base-Backbone interact. energy: -2.523 local terms energy: -535.399937 where: bonds (distance) C4'-P energy: -100.490 bonds (distance) P-C4' energy: -107.368 flat angles C4'-P-C4' energy: -116.782 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -128.791 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: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1442.140053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.140053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.140053 (E_RNA) where: Base-Base interactions energy: -942.796 where: short stacking energy: -418.895 Base-Backbone interact. energy: -1.188 local terms energy: -498.155233 where: bonds (distance) C4'-P energy: -101.300 bonds (distance) P-C4' energy: -107.610 flat angles C4'-P-C4' energy: -120.652 flat angles P-C4'-P energy: -57.159 tors. eta vs tors. theta energy: -111.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1386.511574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.511574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.511574 (E_RNA) where: Base-Base interactions energy: -910.478 where: short stacking energy: -396.754 Base-Backbone interact. energy: 1.093 local terms energy: -477.125945 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -95.010 flat angles C4'-P-C4' energy: -102.259 flat angles P-C4'-P energy: -77.409 tors. eta vs tors. theta energy: -104.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1060.446637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.446637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.446637 (E_RNA) where: Base-Base interactions energy: -635.093 where: short stacking energy: -293.900 Base-Backbone interact. energy: 5.887 local terms energy: -431.240901 where: bonds (distance) C4'-P energy: -107.751 bonds (distance) P-C4' energy: -109.891 flat angles C4'-P-C4' energy: -81.492 flat angles P-C4'-P energy: -73.583 tors. eta vs tors. theta energy: -58.525 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: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -764.778545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.778545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.778545 (E_RNA) where: Base-Base interactions energy: -425.340 where: short stacking energy: -201.928 Base-Backbone interact. energy: 0.981 local terms energy: -340.419323 where: bonds (distance) C4'-P energy: -89.877 bonds (distance) P-C4' energy: -84.493 flat angles C4'-P-C4' energy: -90.387 flat angles P-C4'-P energy: -63.016 tors. eta vs tors. theta energy: -12.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -505.478126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.478126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.478126 (E_RNA) where: Base-Base interactions energy: -202.962 where: short stacking energy: -126.321 Base-Backbone interact. energy: 3.491 local terms energy: -306.007143 where: bonds (distance) C4'-P energy: -83.179 bonds (distance) P-C4' energy: -100.162 flat angles C4'-P-C4' energy: -90.133 flat angles P-C4'-P energy: -40.089 tors. eta vs tors. theta energy: 7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2100.522293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.522293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.522293 (E_RNA) where: Base-Base interactions energy: -1464.190 where: short stacking energy: -608.707 Base-Backbone interact. energy: -0.419 local terms energy: -635.913777 where: bonds (distance) C4'-P energy: -104.895 bonds (distance) P-C4' energy: -126.873 flat angles C4'-P-C4' energy: -127.944 flat angles P-C4'-P energy: -90.776 tors. eta vs tors. theta energy: -185.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2011.543432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.543432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.543432 (E_RNA) where: Base-Base interactions energy: -1364.697 where: short stacking energy: -585.872 Base-Backbone interact. energy: -3.206 local terms energy: -643.640375 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -128.961 flat angles C4'-P-C4' energy: -137.413 flat angles P-C4'-P energy: -82.409 tors. eta vs tors. theta energy: -181.101 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: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1874.853524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.853524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.853524 (E_RNA) where: Base-Base interactions energy: -1315.381 where: short stacking energy: -537.900 Base-Backbone interact. energy: -3.893 local terms energy: -555.579393 where: bonds (distance) C4'-P energy: -107.241 bonds (distance) P-C4' energy: -108.113 flat angles C4'-P-C4' energy: -114.227 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -144.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1821.469526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.469526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.469526 (E_RNA) where: Base-Base interactions energy: -1247.911 where: short stacking energy: -536.816 Base-Backbone interact. energy: -2.137 local terms energy: -571.421226 where: bonds (distance) C4'-P energy: -102.924 bonds (distance) P-C4' energy: -109.140 flat angles C4'-P-C4' energy: -125.493 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -158.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1709.619586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.619586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.619586 (E_RNA) where: Base-Base interactions energy: -1190.297 where: short stacking energy: -505.477 Base-Backbone interact. energy: -1.479 local terms energy: -517.843216 where: bonds (distance) C4'-P energy: -103.291 bonds (distance) P-C4' energy: -87.877 flat angles C4'-P-C4' energy: -115.121 flat angles P-C4'-P energy: -76.973 tors. eta vs tors. theta energy: -134.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1451.925311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.925311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.925311 (E_RNA) where: Base-Base interactions energy: -961.238 where: short stacking energy: -418.225 Base-Backbone interact. energy: -0.891 local terms energy: -489.795876 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -107.072 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -117.433 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: 7, replica: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1309.050153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.050153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.050153 (E_RNA) where: Base-Base interactions energy: -882.241 where: short stacking energy: -385.368 Base-Backbone interact. energy: 1.527 local terms energy: -428.336221 where: bonds (distance) C4'-P energy: -91.447 bonds (distance) P-C4' energy: -83.259 flat angles C4'-P-C4' energy: -102.559 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: -96.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1026.092176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.092176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.092176 (E_RNA) where: Base-Base interactions energy: -625.929 where: short stacking energy: -316.600 Base-Backbone interact. energy: 6.984 local terms energy: -407.146445 where: bonds (distance) C4'-P energy: -101.416 bonds (distance) P-C4' energy: -99.168 flat angles C4'-P-C4' energy: -114.819 flat angles P-C4'-P energy: -51.029 tors. eta vs tors. theta energy: -40.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -799.017498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.017498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.017498 (E_RNA) where: Base-Base interactions energy: -420.316 where: short stacking energy: -212.144 Base-Backbone interact. energy: -0.187 local terms energy: -378.514337 where: bonds (distance) C4'-P energy: -98.165 bonds (distance) P-C4' energy: -105.485 flat angles C4'-P-C4' energy: -89.255 flat angles P-C4'-P energy: -60.256 tors. eta vs tors. theta energy: -25.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -502.240815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.240815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.240815 (E_RNA) where: Base-Base interactions energy: -188.370 where: short stacking energy: -129.317 Base-Backbone interact. energy: 2.628 local terms energy: -316.498036 where: bonds (distance) C4'-P energy: -98.197 bonds (distance) P-C4' energy: -107.761 flat angles C4'-P-C4' energy: -76.897 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: 14.260 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: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2123.785417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.785417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.785417 (E_RNA) where: Base-Base interactions energy: -1462.059 where: short stacking energy: -596.533 Base-Backbone interact. energy: -2.543 local terms energy: -659.183503 where: bonds (distance) C4'-P energy: -121.899 bonds (distance) P-C4' energy: -121.057 flat angles C4'-P-C4' energy: -140.393 flat angles P-C4'-P energy: -98.067 tors. eta vs tors. theta energy: -177.768 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: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2012.387354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.387354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.387354 (E_RNA) where: Base-Base interactions energy: -1390.902 where: short stacking energy: -590.768 Base-Backbone interact. energy: -1.492 local terms energy: -619.993487 where: bonds (distance) C4'-P energy: -104.386 bonds (distance) P-C4' energy: -121.035 flat angles C4'-P-C4' energy: -137.014 flat angles P-C4'-P energy: -84.981 tors. eta vs tors. theta energy: -172.579 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: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1865.335792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.335792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.335792 (E_RNA) where: Base-Base interactions energy: -1293.243 where: short stacking energy: -542.811 Base-Backbone interact. energy: -5.178 local terms energy: -566.914819 where: bonds (distance) C4'-P energy: -96.707 bonds (distance) P-C4' energy: -114.345 flat angles C4'-P-C4' energy: -132.992 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -150.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1815.355155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.355155 (E_RNA) where: Base-Base interactions energy: -1232.058 where: short stacking energy: -536.074 Base-Backbone interact. energy: -0.751 local terms energy: -582.546151 where: bonds (distance) C4'-P energy: -108.000 bonds (distance) P-C4' energy: -111.555 flat angles C4'-P-C4' energy: -128.552 flat angles P-C4'-P energy: -79.413 tors. eta vs tors. theta energy: -155.027 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: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1727.260374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.260374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.260374 (E_RNA) where: Base-Base interactions energy: -1174.124 where: short stacking energy: -497.340 Base-Backbone interact. energy: -2.635 local terms energy: -550.500989 where: bonds (distance) C4'-P energy: -106.558 bonds (distance) P-C4' energy: -127.796 flat angles C4'-P-C4' energy: -122.981 flat angles P-C4'-P energy: -73.945 tors. eta vs tors. theta energy: -119.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1414.186129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.186129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.186129 (E_RNA) where: Base-Base interactions energy: -938.358 where: short stacking energy: -400.295 Base-Backbone interact. energy: 2.905 local terms energy: -478.732705 where: bonds (distance) C4'-P energy: -90.334 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -115.828 flat angles P-C4'-P energy: -69.709 tors. eta vs tors. theta energy: -105.922 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: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1302.090455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.090455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.090455 (E_RNA) where: Base-Base interactions energy: -858.787 where: short stacking energy: -398.513 Base-Backbone interact. energy: 0.742 local terms energy: -444.045939 where: bonds (distance) C4'-P energy: -90.149 bonds (distance) P-C4' energy: -83.747 flat angles C4'-P-C4' energy: -105.076 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: -100.021 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: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1037.391317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.391317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.391317 (E_RNA) where: Base-Base interactions energy: -622.336 where: short stacking energy: -283.825 Base-Backbone interact. energy: -0.664 local terms energy: -414.391381 where: bonds (distance) C4'-P energy: -94.781 bonds (distance) P-C4' energy: -102.396 flat angles C4'-P-C4' energy: -93.312 flat angles P-C4'-P energy: -66.290 tors. eta vs tors. theta energy: -57.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -786.709031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.709031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.709031 (E_RNA) where: Base-Base interactions energy: -423.818 where: short stacking energy: -220.323 Base-Backbone interact. energy: 1.790 local terms energy: -364.681268 where: bonds (distance) C4'-P energy: -100.436 bonds (distance) P-C4' energy: -89.001 flat angles C4'-P-C4' energy: -95.852 flat angles P-C4'-P energy: -57.187 tors. eta vs tors. theta energy: -22.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -464.221984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.221984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.221984 (E_RNA) where: Base-Base interactions energy: -157.095 where: short stacking energy: -135.518 Base-Backbone interact. energy: -1.211 local terms energy: -305.915850 where: bonds (distance) C4'-P energy: -88.660 bonds (distance) P-C4' energy: -116.611 flat angles C4'-P-C4' energy: -68.998 flat angles P-C4'-P energy: -50.539 tors. eta vs tors. theta energy: 18.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2115.560228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.560228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.560228 (E_RNA) where: Base-Base interactions energy: -1460.743 where: short stacking energy: -601.428 Base-Backbone interact. energy: -2.817 local terms energy: -651.999780 where: bonds (distance) C4'-P energy: -112.400 bonds (distance) P-C4' energy: -120.624 flat angles C4'-P-C4' energy: -141.281 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -174.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2004.337530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.337530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.337530 (E_RNA) where: Base-Base interactions energy: -1356.368 where: short stacking energy: -583.831 Base-Backbone interact. energy: -6.219 local terms energy: -641.750122 where: bonds (distance) C4'-P energy: -115.317 bonds (distance) P-C4' energy: -126.266 flat angles C4'-P-C4' energy: -131.716 flat angles P-C4'-P energy: -98.110 tors. eta vs tors. theta energy: -170.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1833.235140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.235140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.235140 (E_RNA) where: Base-Base interactions energy: -1254.936 where: short stacking energy: -536.152 Base-Backbone interact. energy: -3.912 local terms energy: -574.387252 where: bonds (distance) C4'-P energy: -121.333 bonds (distance) P-C4' energy: -114.266 flat angles C4'-P-C4' energy: -112.588 flat angles P-C4'-P energy: -78.217 tors. eta vs tors. theta energy: -147.984 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: 9 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1781.122013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.122013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.122013 (E_RNA) where: Base-Base interactions energy: -1225.398 where: short stacking energy: -513.752 Base-Backbone interact. energy: -3.405 local terms energy: -552.318747 where: bonds (distance) C4'-P energy: -113.845 bonds (distance) P-C4' energy: -87.113 flat angles C4'-P-C4' energy: -125.807 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -140.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1708.867202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.867202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.867202 (E_RNA) where: Base-Base interactions energy: -1131.828 where: short stacking energy: -494.343 Base-Backbone interact. energy: -1.098 local terms energy: -575.941180 where: bonds (distance) C4'-P energy: -110.275 bonds (distance) P-C4' energy: -114.666 flat angles C4'-P-C4' energy: -127.039 flat angles P-C4'-P energy: -85.503 tors. eta vs tors. theta energy: -138.458 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: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1318.821865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.821865 (E_RNA) where: Base-Base interactions energy: -841.191 where: short stacking energy: -401.441 Base-Backbone interact. energy: -1.006 local terms energy: -476.624846 where: bonds (distance) C4'-P energy: -104.038 bonds (distance) P-C4' energy: -104.025 flat angles C4'-P-C4' energy: -106.747 flat angles P-C4'-P energy: -76.800 tors. eta vs tors. theta energy: -85.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1376.654407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.654407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.654407 (E_RNA) where: Base-Base interactions energy: -902.463 where: short stacking energy: -411.768 Base-Backbone interact. energy: 1.831 local terms energy: -476.021949 where: bonds (distance) C4'-P energy: -98.463 bonds (distance) P-C4' energy: -101.398 flat angles C4'-P-C4' energy: -104.825 flat angles P-C4'-P energy: -68.368 tors. eta vs tors. theta energy: -102.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1085.478657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.478657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.478657 (E_RNA) where: Base-Base interactions energy: -633.480 where: short stacking energy: -314.887 Base-Backbone interact. energy: 0.084 local terms energy: -452.082339 where: bonds (distance) C4'-P energy: -99.890 bonds (distance) P-C4' energy: -114.150 flat angles C4'-P-C4' energy: -96.404 flat angles P-C4'-P energy: -80.549 tors. eta vs tors. theta energy: -61.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -822.071098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.071098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.071098 (E_RNA) where: Base-Base interactions energy: -463.755 where: short stacking energy: -248.112 Base-Backbone interact. energy: -1.308 local terms energy: -357.007593 where: bonds (distance) C4'-P energy: -84.821 bonds (distance) P-C4' energy: -92.484 flat angles C4'-P-C4' energy: -89.084 flat angles P-C4'-P energy: -64.279 tors. eta vs tors. theta energy: -26.339 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: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -485.412311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.412311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.412311 (E_RNA) where: Base-Base interactions energy: -183.050 where: short stacking energy: -109.072 Base-Backbone interact. energy: 0.358 local terms energy: -302.720759 where: bonds (distance) C4'-P energy: -92.736 bonds (distance) P-C4' energy: -98.764 flat angles C4'-P-C4' energy: -84.267 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: 40.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2089.408024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.408024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.408024 (E_RNA) where: Base-Base interactions energy: -1456.437 where: short stacking energy: -596.567 Base-Backbone interact. energy: -1.769 local terms energy: -631.201629 where: bonds (distance) C4'-P energy: -115.481 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -141.016 flat angles P-C4'-P energy: -84.105 tors. eta vs tors. theta energy: -176.570 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: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2006.059134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.059134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.059134 (E_RNA) where: Base-Base interactions energy: -1375.489 where: short stacking energy: -563.949 Base-Backbone interact. energy: -2.147 local terms energy: -628.422733 where: bonds (distance) C4'-P energy: -104.706 bonds (distance) P-C4' energy: -119.629 flat angles C4'-P-C4' energy: -136.421 flat angles P-C4'-P energy: -93.010 tors. eta vs tors. theta energy: -174.657 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: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1863.927839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.927839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.927839 (E_RNA) where: Base-Base interactions energy: -1277.138 where: short stacking energy: -513.752 Base-Backbone interact. energy: -1.715 local terms energy: -585.075233 where: bonds (distance) C4'-P energy: -106.812 bonds (distance) P-C4' energy: -115.521 flat angles C4'-P-C4' energy: -117.423 flat angles P-C4'-P energy: -91.401 tors. eta vs tors. theta energy: -153.919 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: 176 Temperature: 1.050000 Total energy: -1805.571658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.571658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.571658 (E_RNA) where: Base-Base interactions energy: -1259.352 where: short stacking energy: -525.769 Base-Backbone interact. energy: -1.570 local terms energy: -544.649956 where: bonds (distance) C4'-P energy: -95.745 bonds (distance) P-C4' energy: -98.313 flat angles C4'-P-C4' energy: -119.639 flat angles P-C4'-P energy: -80.527 tors. eta vs tors. theta energy: -150.426 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: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1710.612054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.612054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.612054 (E_RNA) where: Base-Base interactions energy: -1141.891 where: short stacking energy: -517.680 Base-Backbone interact. energy: -0.680 local terms energy: -568.040661 where: bonds (distance) C4'-P energy: -108.697 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -129.811 flat angles P-C4'-P energy: -70.035 tors. eta vs tors. theta energy: -148.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1311.922119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.922119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.922119 (E_RNA) where: Base-Base interactions energy: -852.390 where: short stacking energy: -378.247 Base-Backbone interact. energy: 3.472 local terms energy: -463.003506 where: bonds (distance) C4'-P energy: -103.353 bonds (distance) P-C4' energy: -93.271 flat angles C4'-P-C4' energy: -109.728 flat angles P-C4'-P energy: -75.658 tors. eta vs tors. theta energy: -80.995 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: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1349.099245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.099245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.099245 (E_RNA) where: Base-Base interactions energy: -897.057 where: short stacking energy: -405.450 Base-Backbone interact. energy: 0.284 local terms energy: -452.326024 where: bonds (distance) C4'-P energy: -85.334 bonds (distance) P-C4' energy: -93.035 flat angles C4'-P-C4' energy: -126.663 flat angles P-C4'-P energy: -49.017 tors. eta vs tors. theta energy: -98.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1021.545119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.545119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.545119 (E_RNA) where: Base-Base interactions energy: -618.788 where: short stacking energy: -301.921 Base-Backbone interact. energy: 1.409 local terms energy: -404.166273 where: bonds (distance) C4'-P energy: -100.312 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -100.948 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -42.153 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: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -834.997012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.997012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.997012 (E_RNA) where: Base-Base interactions energy: -485.727 where: short stacking energy: -250.511 Base-Backbone interact. energy: -2.197 local terms energy: -347.072457 where: bonds (distance) C4'-P energy: -88.440 bonds (distance) P-C4' energy: -99.271 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -32.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -495.062526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.062526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.062526 (E_RNA) where: Base-Base interactions energy: -182.669 where: short stacking energy: -132.397 Base-Backbone interact. energy: 0.851 local terms energy: -313.244576 where: bonds (distance) C4'-P energy: -92.594 bonds (distance) P-C4' energy: -99.982 flat angles C4'-P-C4' energy: -98.289 flat angles P-C4'-P energy: -37.499 tors. eta vs tors. theta energy: 15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2095.714730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.714730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.714730 (E_RNA) where: Base-Base interactions energy: -1433.141 where: short stacking energy: -605.597 Base-Backbone interact. energy: -0.312 local terms energy: -662.261956 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -132.756 flat angles C4'-P-C4' energy: -141.786 flat angles P-C4'-P energy: -88.799 tors. eta vs tors. theta energy: -183.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2039.047998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.047998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.047998 (E_RNA) where: Base-Base interactions energy: -1414.283 where: short stacking energy: -599.637 Base-Backbone interact. energy: -5.826 local terms energy: -618.938587 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -115.199 flat angles C4'-P-C4' energy: -135.538 flat angles P-C4'-P energy: -79.158 tors. eta vs tors. theta energy: -179.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1879.587020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.587020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.587020 (E_RNA) where: Base-Base interactions energy: -1262.157 where: short stacking energy: -537.402 Base-Backbone interact. energy: -2.582 local terms energy: -614.847858 where: bonds (distance) C4'-P energy: -128.432 bonds (distance) P-C4' energy: -126.464 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -86.041 tors. eta vs tors. theta energy: -152.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1838.844275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.844275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.844275 (E_RNA) where: Base-Base interactions energy: -1291.540 where: short stacking energy: -550.522 Base-Backbone interact. energy: 1.680 local terms energy: -548.984704 where: bonds (distance) C4'-P energy: -101.500 bonds (distance) P-C4' energy: -99.584 flat angles C4'-P-C4' energy: -114.092 flat angles P-C4'-P energy: -81.621 tors. eta vs tors. theta energy: -152.188 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: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1749.216932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.216932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.216932 (E_RNA) where: Base-Base interactions energy: -1193.519 where: short stacking energy: -517.122 Base-Backbone interact. energy: -3.288 local terms energy: -552.409307 where: bonds (distance) C4'-P energy: -109.101 bonds (distance) P-C4' energy: -112.464 flat angles C4'-P-C4' energy: -125.438 flat angles P-C4'-P energy: -70.189 tors. eta vs tors. theta energy: -135.217 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: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1350.133668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.133668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.133668 (E_RNA) where: Base-Base interactions energy: -878.138 where: short stacking energy: -383.719 Base-Backbone interact. energy: 2.137 local terms energy: -474.132428 where: bonds (distance) C4'-P energy: -100.081 bonds (distance) P-C4' energy: -107.941 flat angles C4'-P-C4' energy: -114.898 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -85.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1317.784777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.784777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.784777 (E_RNA) where: Base-Base interactions energy: -871.854 where: short stacking energy: -394.679 Base-Backbone interact. energy: -3.460 local terms energy: -442.471274 where: bonds (distance) C4'-P energy: -99.307 bonds (distance) P-C4' energy: -90.197 flat angles C4'-P-C4' energy: -96.809 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -87.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1026.210622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.210622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.210622 (E_RNA) where: Base-Base interactions energy: -598.679 where: short stacking energy: -278.886 Base-Backbone interact. energy: 0.708 local terms energy: -428.239675 where: bonds (distance) C4'-P energy: -88.092 bonds (distance) P-C4' energy: -109.276 flat angles C4'-P-C4' energy: -110.525 flat angles P-C4'-P energy: -74.920 tors. eta vs tors. theta energy: -45.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -823.018242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.018242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.018242 (E_RNA) where: Base-Base interactions energy: -471.254 where: short stacking energy: -223.046 Base-Backbone interact. energy: 4.183 local terms energy: -355.947214 where: bonds (distance) C4'-P energy: -92.080 bonds (distance) P-C4' energy: -104.044 flat angles C4'-P-C4' energy: -102.428 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -14.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -542.628812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.628812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.628812 (E_RNA) where: Base-Base interactions energy: -226.196 where: short stacking energy: -161.618 Base-Backbone interact. energy: -2.356 local terms energy: -314.076655 where: bonds (distance) C4'-P energy: -91.882 bonds (distance) P-C4' energy: -101.919 flat angles C4'-P-C4' energy: -81.223 flat angles P-C4'-P energy: -58.429 tors. eta vs tors. theta energy: 19.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2101.783392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.783392 (E_RNA) where: Base-Base interactions energy: -1455.476 where: short stacking energy: -608.215 Base-Backbone interact. energy: -1.372 local terms energy: -644.935295 where: bonds (distance) C4'-P energy: -120.774 bonds (distance) P-C4' energy: -114.621 flat angles C4'-P-C4' energy: -137.894 flat angles P-C4'-P energy: -93.323 tors. eta vs tors. theta energy: -178.324 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: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2001.370659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.370659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.370659 (E_RNA) where: Base-Base interactions energy: -1392.904 where: short stacking energy: -594.532 Base-Backbone interact. energy: -2.601 local terms energy: -605.865972 where: bonds (distance) C4'-P energy: -110.914 bonds (distance) P-C4' energy: -99.950 flat angles C4'-P-C4' energy: -130.897 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -174.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1862.566607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.566607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.566607 (E_RNA) where: Base-Base interactions energy: -1256.703 where: short stacking energy: -511.772 Base-Backbone interact. energy: -4.247 local terms energy: -601.616680 where: bonds (distance) C4'-P energy: -118.494 bonds (distance) P-C4' energy: -101.824 flat angles C4'-P-C4' energy: -132.036 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -150.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1829.115388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.115388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.115388 (E_RNA) where: Base-Base interactions energy: -1252.524 where: short stacking energy: -538.127 Base-Backbone interact. energy: -2.353 local terms energy: -574.238620 where: bonds (distance) C4'-P energy: -98.481 bonds (distance) P-C4' energy: -110.891 flat angles C4'-P-C4' energy: -115.221 flat angles P-C4'-P energy: -98.370 tors. eta vs tors. theta energy: -151.276 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: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1752.121035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.121035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.121035 (E_RNA) where: Base-Base interactions energy: -1192.869 where: short stacking energy: -508.474 Base-Backbone interact. energy: 4.361 local terms energy: -563.612812 where: bonds (distance) C4'-P energy: -116.265 bonds (distance) P-C4' energy: -106.198 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -132.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1364.977626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.977626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.977626 (E_RNA) where: Base-Base interactions energy: -882.486 where: short stacking energy: -407.253 Base-Backbone interact. energy: -0.869 local terms energy: -481.622416 where: bonds (distance) C4'-P energy: -114.631 bonds (distance) P-C4' energy: -112.651 flat angles C4'-P-C4' energy: -94.615 flat angles P-C4'-P energy: -57.352 tors. eta vs tors. theta energy: -102.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1266.449381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.449381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.449381 (E_RNA) where: Base-Base interactions energy: -799.805 where: short stacking energy: -339.804 Base-Backbone interact. energy: -2.534 local terms energy: -464.109948 where: bonds (distance) C4'-P energy: -108.877 bonds (distance) P-C4' energy: -109.475 flat angles C4'-P-C4' energy: -95.260 flat angles P-C4'-P energy: -71.244 tors. eta vs tors. theta energy: -79.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1033.838472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.838472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.838472 (E_RNA) where: Base-Base interactions energy: -624.024 where: short stacking energy: -300.999 Base-Backbone interact. energy: -4.955 local terms energy: -404.859530 where: bonds (distance) C4'-P energy: -85.922 bonds (distance) P-C4' energy: -101.024 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -66.940 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: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -867.971229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.971229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.971229 (E_RNA) where: Base-Base interactions energy: -519.889 where: short stacking energy: -235.353 Base-Backbone interact. energy: -1.328 local terms energy: -346.754322 where: bonds (distance) C4'-P energy: -98.500 bonds (distance) P-C4' energy: -77.007 flat angles C4'-P-C4' energy: -91.253 flat angles P-C4'-P energy: -55.855 tors. eta vs tors. theta energy: -24.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -528.479685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.479685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.479685 (E_RNA) where: Base-Base interactions energy: -260.852 where: short stacking energy: -154.136 Base-Backbone interact. energy: 0.463 local terms energy: -268.091024 where: bonds (distance) C4'-P energy: -80.551 bonds (distance) P-C4' energy: -94.188 flat angles C4'-P-C4' energy: -76.969 flat angles P-C4'-P energy: -37.277 tors. eta vs tors. theta energy: 20.894 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: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2053.837523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.837523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.837523 (E_RNA) where: Base-Base interactions energy: -1422.442 where: short stacking energy: -599.358 Base-Backbone interact. energy: -3.630 local terms energy: -627.765195 where: bonds (distance) C4'-P energy: -121.282 bonds (distance) P-C4' energy: -110.990 flat angles C4'-P-C4' energy: -132.883 flat angles P-C4'-P energy: -91.844 tors. eta vs tors. theta energy: -170.766 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: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2020.946201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.946201 (E_RNA) where: Base-Base interactions energy: -1390.276 where: short stacking energy: -603.264 Base-Backbone interact. energy: -5.064 local terms energy: -625.605585 where: bonds (distance) C4'-P energy: -121.474 bonds (distance) P-C4' energy: -106.953 flat angles C4'-P-C4' energy: -132.731 flat angles P-C4'-P energy: -83.644 tors. eta vs tors. theta energy: -180.803 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: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1852.360041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.360041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.360041 (E_RNA) where: Base-Base interactions energy: -1263.760 where: short stacking energy: -545.153 Base-Backbone interact. energy: -1.874 local terms energy: -586.726113 where: bonds (distance) C4'-P energy: -108.101 bonds (distance) P-C4' energy: -121.638 flat angles C4'-P-C4' energy: -129.428 flat angles P-C4'-P energy: -80.559 tors. eta vs tors. theta energy: -147.000 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: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1805.310626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.310626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.310626 (E_RNA) where: Base-Base interactions energy: -1216.849 where: short stacking energy: -505.055 Base-Backbone interact. energy: 1.974 local terms energy: -590.435784 where: bonds (distance) C4'-P energy: -116.360 bonds (distance) P-C4' energy: -122.647 flat angles C4'-P-C4' energy: -121.636 flat angles P-C4'-P energy: -91.080 tors. eta vs tors. theta energy: -138.712 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: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1704.873273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.873273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.873273 (E_RNA) where: Base-Base interactions energy: -1168.920 where: short stacking energy: -507.634 Base-Backbone interact. energy: -2.583 local terms energy: -533.369609 where: bonds (distance) C4'-P energy: -95.937 bonds (distance) P-C4' energy: -96.665 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -76.303 tors. eta vs tors. theta energy: -139.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1464.688424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.688424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.688424 (E_RNA) where: Base-Base interactions energy: -959.470 where: short stacking energy: -406.985 Base-Backbone interact. energy: -3.321 local terms energy: -501.897846 where: bonds (distance) C4'-P energy: -101.538 bonds (distance) P-C4' energy: -108.209 flat angles C4'-P-C4' energy: -120.632 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -93.822 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: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1167.686102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.686102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.686102 (E_RNA) where: Base-Base interactions energy: -711.215 where: short stacking energy: -338.870 Base-Backbone interact. energy: -1.255 local terms energy: -455.215708 where: bonds (distance) C4'-P energy: -124.825 bonds (distance) P-C4' energy: -98.258 flat angles C4'-P-C4' energy: -101.902 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -81.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1083.129342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.129342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.129342 (E_RNA) where: Base-Base interactions energy: -651.238 where: short stacking energy: -300.249 Base-Backbone interact. energy: -3.600 local terms energy: -428.290970 where: bonds (distance) C4'-P energy: -99.388 bonds (distance) P-C4' energy: -107.522 flat angles C4'-P-C4' energy: -92.844 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: -58.967 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: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -825.946535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.946535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.946535 (E_RNA) where: Base-Base interactions energy: -463.170 where: short stacking energy: -216.205 Base-Backbone interact. energy: 1.031 local terms energy: -363.808256 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -113.829 flat angles C4'-P-C4' energy: -101.004 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -14.222 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: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -483.207583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.207583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.207583 (E_RNA) where: Base-Base interactions energy: -186.020 where: short stacking energy: -132.966 Base-Backbone interact. energy: -3.518 local terms energy: -293.670070 where: bonds (distance) C4'-P energy: -86.175 bonds (distance) P-C4' energy: -112.163 flat angles C4'-P-C4' energy: -91.075 flat angles P-C4'-P energy: -26.856 tors. eta vs tors. theta energy: 22.599 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: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2053.075398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.075398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.075398 (E_RNA) where: Base-Base interactions energy: -1402.524 where: short stacking energy: -597.144 Base-Backbone interact. energy: -2.943 local terms energy: -647.608273 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -122.992 flat angles C4'-P-C4' energy: -139.299 flat angles P-C4'-P energy: -81.335 tors. eta vs tors. theta energy: -176.541 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: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1997.186458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.186458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.186458 (E_RNA) where: Base-Base interactions energy: -1369.502 where: short stacking energy: -564.528 Base-Backbone interact. energy: -4.332 local terms energy: -623.353273 where: bonds (distance) C4'-P energy: -109.987 bonds (distance) P-C4' energy: -123.671 flat angles C4'-P-C4' energy: -127.405 flat angles P-C4'-P energy: -91.360 tors. eta vs tors. theta energy: -170.930 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: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1887.532734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.532734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.532734 (E_RNA) where: Base-Base interactions energy: -1306.878 where: short stacking energy: -533.750 Base-Backbone interact. energy: -0.000 local terms energy: -580.654176 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -111.335 flat angles C4'-P-C4' energy: -115.385 flat angles P-C4'-P energy: -90.025 tors. eta vs tors. theta energy: -156.314 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: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1806.427807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.427807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.427807 (E_RNA) where: Base-Base interactions energy: -1244.287 where: short stacking energy: -521.337 Base-Backbone interact. energy: -2.531 local terms energy: -559.609725 where: bonds (distance) C4'-P energy: -120.761 bonds (distance) P-C4' energy: -111.169 flat angles C4'-P-C4' energy: -112.104 flat angles P-C4'-P energy: -66.401 tors. eta vs tors. theta energy: -149.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1737.314380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.314380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.314380 (E_RNA) where: Base-Base interactions energy: -1164.954 where: short stacking energy: -507.876 Base-Backbone interact. energy: 0.034 local terms energy: -572.394538 where: bonds (distance) C4'-P energy: -107.394 bonds (distance) P-C4' energy: -111.189 flat angles C4'-P-C4' energy: -117.414 flat angles P-C4'-P energy: -89.267 tors. eta vs tors. theta energy: -147.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1471.765052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.765052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.765052 (E_RNA) where: Base-Base interactions energy: -966.163 where: short stacking energy: -412.017 Base-Backbone interact. energy: 0.231 local terms energy: -505.832364 where: bonds (distance) C4'-P energy: -105.991 bonds (distance) P-C4' energy: -114.308 flat angles C4'-P-C4' energy: -116.710 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -105.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1201.847219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.847219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.847219 (E_RNA) where: Base-Base interactions energy: -744.612 where: short stacking energy: -351.417 Base-Backbone interact. energy: -2.204 local terms energy: -455.031221 where: bonds (distance) C4'-P energy: -97.583 bonds (distance) P-C4' energy: -103.863 flat angles C4'-P-C4' energy: -98.490 flat angles P-C4'-P energy: -71.219 tors. eta vs tors. theta energy: -83.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1082.916226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.916226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.916226 (E_RNA) where: Base-Base interactions energy: -668.352 where: short stacking energy: -309.879 Base-Backbone interact. energy: -2.414 local terms energy: -412.150290 where: bonds (distance) C4'-P energy: -91.477 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -100.670 flat angles P-C4'-P energy: -51.662 tors. eta vs tors. theta energy: -54.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -757.585284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.585284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.585284 (E_RNA) where: Base-Base interactions energy: -395.776 where: short stacking energy: -200.539 Base-Backbone interact. energy: -3.334 local terms energy: -358.474834 where: bonds (distance) C4'-P energy: -93.925 bonds (distance) P-C4' energy: -91.699 flat angles C4'-P-C4' energy: -95.841 flat angles P-C4'-P energy: -53.392 tors. eta vs tors. theta energy: -23.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -452.236359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.236359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.236359 (E_RNA) where: Base-Base interactions energy: -155.234 where: short stacking energy: -129.396 Base-Backbone interact. energy: 1.627 local terms energy: -298.630068 where: bonds (distance) C4'-P energy: -87.156 bonds (distance) P-C4' energy: -115.474 flat angles C4'-P-C4' energy: -52.490 flat angles P-C4'-P energy: -58.285 tors. eta vs tors. theta energy: 14.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2096.909309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.909309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.909309 (E_RNA) where: Base-Base interactions energy: -1449.335 where: short stacking energy: -620.467 Base-Backbone interact. energy: -2.272 local terms energy: -645.301804 where: bonds (distance) C4'-P energy: -114.729 bonds (distance) P-C4' energy: -128.321 flat angles C4'-P-C4' energy: -128.110 flat angles P-C4'-P energy: -89.175 tors. eta vs tors. theta energy: -184.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1995.770749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.770749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.770749 (E_RNA) where: Base-Base interactions energy: -1390.841 where: short stacking energy: -561.177 Base-Backbone interact. energy: -2.314 local terms energy: -602.616170 where: bonds (distance) C4'-P energy: -99.405 bonds (distance) P-C4' energy: -112.202 flat angles C4'-P-C4' energy: -132.765 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -170.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1892.821403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.821403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.821403 (E_RNA) where: Base-Base interactions energy: -1295.552 where: short stacking energy: -541.144 Base-Backbone interact. energy: 2.609 local terms energy: -599.877882 where: bonds (distance) C4'-P energy: -102.115 bonds (distance) P-C4' energy: -118.544 flat angles C4'-P-C4' energy: -129.837 flat angles P-C4'-P energy: -86.625 tors. eta vs tors. theta energy: -162.757 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: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1780.999420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.999420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.999420 (E_RNA) where: Base-Base interactions energy: -1208.066 where: short stacking energy: -495.068 Base-Backbone interact. energy: -1.510 local terms energy: -571.423666 where: bonds (distance) C4'-P energy: -113.058 bonds (distance) P-C4' energy: -122.925 flat angles C4'-P-C4' energy: -120.892 flat angles P-C4'-P energy: -81.886 tors. eta vs tors. theta energy: -132.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1724.767548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.767548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.767548 (E_RNA) where: Base-Base interactions energy: -1186.332 where: short stacking energy: -496.968 Base-Backbone interact. energy: -0.732 local terms energy: -537.703576 where: bonds (distance) C4'-P energy: -105.312 bonds (distance) P-C4' energy: -105.115 flat angles C4'-P-C4' energy: -107.847 flat angles P-C4'-P energy: -80.983 tors. eta vs tors. theta energy: -138.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1432.981774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.981774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.981774 (E_RNA) where: Base-Base interactions energy: -952.259 where: short stacking energy: -396.593 Base-Backbone interact. energy: -0.466 local terms energy: -480.256388 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -108.780 flat angles C4'-P-C4' energy: -109.348 flat angles P-C4'-P energy: -65.192 tors. eta vs tors. theta energy: -98.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1154.798195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.798195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.798195 (E_RNA) where: Base-Base interactions energy: -749.977 where: short stacking energy: -341.895 Base-Backbone interact. energy: -0.543 local terms energy: -404.277999 where: bonds (distance) C4'-P energy: -86.998 bonds (distance) P-C4' energy: -93.000 flat angles C4'-P-C4' energy: -113.889 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -51.185 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: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1077.178210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.178210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.178210 (E_RNA) where: Base-Base interactions energy: -649.064 where: short stacking energy: -323.431 Base-Backbone interact. energy: -1.843 local terms energy: -426.270964 where: bonds (distance) C4'-P energy: -81.697 bonds (distance) P-C4' energy: -112.663 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: -64.694 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: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -809.952323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.952323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.952323 (E_RNA) where: Base-Base interactions energy: -417.888 where: short stacking energy: -202.706 Base-Backbone interact. energy: 3.065 local terms energy: -395.129931 where: bonds (distance) C4'-P energy: -115.009 bonds (distance) P-C4' energy: -106.677 flat angles C4'-P-C4' energy: -95.271 flat angles P-C4'-P energy: -72.874 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -487.140107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.140107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.140107 (E_RNA) where: Base-Base interactions energy: -179.748 where: short stacking energy: -129.632 Base-Backbone interact. energy: 3.697 local terms energy: -311.089761 where: bonds (distance) C4'-P energy: -96.011 bonds (distance) P-C4' energy: -115.358 flat angles C4'-P-C4' energy: -92.264 flat angles P-C4'-P energy: -40.301 tors. eta vs tors. theta energy: 32.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2076.322904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.322904 (E_RNA) where: Base-Base interactions energy: -1426.392 where: short stacking energy: -597.742 Base-Backbone interact. energy: -2.749 local terms energy: -647.182101 where: bonds (distance) C4'-P energy: -120.125 bonds (distance) P-C4' energy: -115.524 flat angles C4'-P-C4' energy: -130.199 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -191.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1983.159016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.159016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.159016 (E_RNA) where: Base-Base interactions energy: -1387.404 where: short stacking energy: -555.232 Base-Backbone interact. energy: -3.212 local terms energy: -592.542905 where: bonds (distance) C4'-P energy: -100.071 bonds (distance) P-C4' energy: -111.388 flat angles C4'-P-C4' energy: -139.468 flat angles P-C4'-P energy: -79.699 tors. eta vs tors. theta energy: -161.918 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: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1878.084903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.084903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.084903 (E_RNA) where: Base-Base interactions energy: -1245.236 where: short stacking energy: -540.685 Base-Backbone interact. energy: 1.888 local terms energy: -634.736269 where: bonds (distance) C4'-P energy: -114.833 bonds (distance) P-C4' energy: -112.754 flat angles C4'-P-C4' energy: -141.049 flat angles P-C4'-P energy: -96.137 tors. eta vs tors. theta energy: -169.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1762.924454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.924454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.924454 (E_RNA) where: Base-Base interactions energy: -1196.229 where: short stacking energy: -477.643 Base-Backbone interact. energy: -3.327 local terms energy: -563.368444 where: bonds (distance) C4'-P energy: -105.110 bonds (distance) P-C4' energy: -106.995 flat angles C4'-P-C4' energy: -128.674 flat angles P-C4'-P energy: -84.766 tors. eta vs tors. theta energy: -137.823 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: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1738.964885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.964885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.964885 (E_RNA) where: Base-Base interactions energy: -1195.457 where: short stacking energy: -486.613 Base-Backbone interact. energy: -0.252 local terms energy: -543.255494 where: bonds (distance) C4'-P energy: -99.725 bonds (distance) P-C4' energy: -114.779 flat angles C4'-P-C4' energy: -127.167 flat angles P-C4'-P energy: -71.821 tors. eta vs tors. theta energy: -129.764 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: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1469.969252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.969252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.969252 (E_RNA) where: Base-Base interactions energy: -982.506 where: short stacking energy: -416.067 Base-Backbone interact. energy: -4.001 local terms energy: -483.461829 where: bonds (distance) C4'-P energy: -102.935 bonds (distance) P-C4' energy: -104.118 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -51.822 tors. eta vs tors. theta energy: -112.362 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: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1078.059485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.059485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.059485 (E_RNA) where: Base-Base interactions energy: -657.834 where: short stacking energy: -316.898 Base-Backbone interact. energy: 1.010 local terms energy: -421.236441 where: bonds (distance) C4'-P energy: -103.433 bonds (distance) P-C4' energy: -110.694 flat angles C4'-P-C4' energy: -93.043 flat angles P-C4'-P energy: -66.095 tors. eta vs tors. theta energy: -47.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1019.233220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.233220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.233220 (E_RNA) where: Base-Base interactions energy: -611.467 where: short stacking energy: -291.453 Base-Backbone interact. energy: -2.516 local terms energy: -405.250266 where: bonds (distance) C4'-P energy: -97.682 bonds (distance) P-C4' energy: -118.551 flat angles C4'-P-C4' energy: -85.269 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -48.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -838.151468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.151468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.151468 (E_RNA) where: Base-Base interactions energy: -450.810 where: short stacking energy: -239.599 Base-Backbone interact. energy: -0.110 local terms energy: -387.231252 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -103.128 flat angles C4'-P-C4' energy: -91.306 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -29.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -465.318498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.318498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.318498 (E_RNA) where: Base-Base interactions energy: -174.130 where: short stacking energy: -131.420 Base-Backbone interact. energy: -2.102 local terms energy: -289.087206 where: bonds (distance) C4'-P energy: -102.434 bonds (distance) P-C4' energy: -67.767 flat angles C4'-P-C4' energy: -86.326 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: 12.689 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: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2077.613699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.613699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.613699 (E_RNA) where: Base-Base interactions energy: -1436.745 where: short stacking energy: -632.565 Base-Backbone interact. energy: -4.264 local terms energy: -636.604222 where: bonds (distance) C4'-P energy: -104.946 bonds (distance) P-C4' energy: -123.063 flat angles C4'-P-C4' energy: -136.233 flat angles P-C4'-P energy: -94.350 tors. eta vs tors. theta energy: -178.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1993.415319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.415319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.415319 (E_RNA) where: Base-Base interactions energy: -1376.957 where: short stacking energy: -572.188 Base-Backbone interact. energy: -5.107 local terms energy: -611.351602 where: bonds (distance) C4'-P energy: -121.484 bonds (distance) P-C4' energy: -118.505 flat angles C4'-P-C4' energy: -120.481 flat angles P-C4'-P energy: -80.356 tors. eta vs tors. theta energy: -170.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1845.100114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.100114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.100114 (E_RNA) where: Base-Base interactions energy: -1263.978 where: short stacking energy: -514.988 Base-Backbone interact. energy: -1.087 local terms energy: -580.035578 where: bonds (distance) C4'-P energy: -109.106 bonds (distance) P-C4' energy: -102.697 flat angles C4'-P-C4' energy: -133.259 flat angles P-C4'-P energy: -78.863 tors. eta vs tors. theta energy: -156.111 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: 183 Temperature: 1.050000 Total energy: -1833.637547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.637547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.637547 (E_RNA) where: Base-Base interactions energy: -1236.820 where: short stacking energy: -519.043 Base-Backbone interact. energy: -2.373 local terms energy: -594.444935 where: bonds (distance) C4'-P energy: -111.988 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -152.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1701.098758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.098758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.098758 (E_RNA) where: Base-Base interactions energy: -1159.788 where: short stacking energy: -477.706 Base-Backbone interact. energy: -0.340 local terms energy: -540.970579 where: bonds (distance) C4'-P energy: -105.783 bonds (distance) P-C4' energy: -120.152 flat angles C4'-P-C4' energy: -104.670 flat angles P-C4'-P energy: -78.645 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: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1472.871319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.871319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.871319 (E_RNA) where: Base-Base interactions energy: -992.862 where: short stacking energy: -400.398 Base-Backbone interact. energy: -0.660 local terms energy: -479.348544 where: bonds (distance) C4'-P energy: -93.375 bonds (distance) P-C4' energy: -105.117 flat angles C4'-P-C4' energy: -110.350 flat angles P-C4'-P energy: -71.533 tors. eta vs tors. theta energy: -98.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1194.918935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.918935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.918935 (E_RNA) where: Base-Base interactions energy: -725.829 where: short stacking energy: -351.318 Base-Backbone interact. energy: -1.974 local terms energy: -467.116517 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -116.297 flat angles C4'-P-C4' energy: -109.728 flat angles P-C4'-P energy: -68.164 tors. eta vs tors. theta energy: -75.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -844.955776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.955776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.955776 (E_RNA) where: Base-Base interactions energy: -469.346 where: short stacking energy: -255.954 Base-Backbone interact. energy: -1.964 local terms energy: -373.644950 where: bonds (distance) C4'-P energy: -95.521 bonds (distance) P-C4' energy: -95.047 flat angles C4'-P-C4' energy: -95.393 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -39.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -900.891447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.891447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.891447 (E_RNA) where: Base-Base interactions energy: -512.226 where: short stacking energy: -247.008 Base-Backbone interact. energy: -4.315 local terms energy: -384.349819 where: bonds (distance) C4'-P energy: -95.478 bonds (distance) P-C4' energy: -106.574 flat angles C4'-P-C4' energy: -95.881 flat angles P-C4'-P energy: -54.181 tors. eta vs tors. theta energy: -32.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -500.497341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.497341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.497341 (E_RNA) where: Base-Base interactions energy: -201.626 where: short stacking energy: -128.587 Base-Backbone interact. energy: 2.753 local terms energy: -301.624175 where: bonds (distance) C4'-P energy: -84.064 bonds (distance) P-C4' energy: -108.706 flat angles C4'-P-C4' energy: -82.850 flat angles P-C4'-P energy: -44.149 tors. eta vs tors. theta energy: 18.144 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: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2103.600027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.600027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.600027 (E_RNA) where: Base-Base interactions energy: -1442.365 where: short stacking energy: -627.133 Base-Backbone interact. energy: -3.596 local terms energy: -657.638921 where: bonds (distance) C4'-P energy: -110.610 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -146.167 flat angles P-C4'-P energy: -87.413 tors. eta vs tors. theta energy: -182.304 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: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2040.364086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.364086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.364086 (E_RNA) where: Base-Base interactions energy: -1421.300 where: short stacking energy: -586.629 Base-Backbone interact. energy: -3.564 local terms energy: -615.499724 where: bonds (distance) C4'-P energy: -96.964 bonds (distance) P-C4' energy: -114.562 flat angles C4'-P-C4' energy: -134.373 flat angles P-C4'-P energy: -92.268 tors. eta vs tors. theta energy: -177.333 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: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1886.210645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.210645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.210645 (E_RNA) where: Base-Base interactions energy: -1303.086 where: short stacking energy: -521.241 Base-Backbone interact. energy: -1.492 local terms energy: -581.632890 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -115.274 flat angles C4'-P-C4' energy: -113.921 flat angles P-C4'-P energy: -81.206 tors. eta vs tors. theta energy: -156.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1842.408333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.408333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.408333 (E_RNA) where: Base-Base interactions energy: -1289.830 where: short stacking energy: -552.503 Base-Backbone interact. energy: 0.874 local terms energy: -553.452139 where: bonds (distance) C4'-P energy: -116.320 bonds (distance) P-C4' energy: -94.739 flat angles C4'-P-C4' energy: -128.630 flat angles P-C4'-P energy: -68.946 tors. eta vs tors. theta energy: -144.817 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: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1720.540520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.540520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.540520 (E_RNA) where: Base-Base interactions energy: -1189.962 where: short stacking energy: -497.888 Base-Backbone interact. energy: -4.255 local terms energy: -526.323411 where: bonds (distance) C4'-P energy: -92.896 bonds (distance) P-C4' energy: -90.077 flat angles C4'-P-C4' energy: -125.259 flat angles P-C4'-P energy: -77.048 tors. eta vs tors. theta energy: -141.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1471.898700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.898700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.898700 (E_RNA) where: Base-Base interactions energy: -966.235 where: short stacking energy: -418.362 Base-Backbone interact. energy: -2.595 local terms energy: -503.068493 where: bonds (distance) C4'-P energy: -110.641 bonds (distance) P-C4' energy: -88.918 flat angles C4'-P-C4' energy: -118.929 flat angles P-C4'-P energy: -81.729 tors. eta vs tors. theta energy: -102.853 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: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1208.567047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.567047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.567047 (E_RNA) where: Base-Base interactions energy: -740.311 where: short stacking energy: -368.278 Base-Backbone interact. energy: 0.337 local terms energy: -468.592468 where: bonds (distance) C4'-P energy: -95.109 bonds (distance) P-C4' energy: -99.708 flat angles C4'-P-C4' energy: -112.693 flat angles P-C4'-P energy: -66.743 tors. eta vs tors. theta energy: -94.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -868.997730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.997730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.997730 (E_RNA) where: Base-Base interactions energy: -485.635 where: short stacking energy: -259.472 Base-Backbone interact. energy: 4.860 local terms energy: -388.222550 where: bonds (distance) C4'-P energy: -92.426 bonds (distance) P-C4' energy: -99.354 flat angles C4'-P-C4' energy: -105.811 flat angles P-C4'-P energy: -47.055 tors. eta vs tors. theta energy: -43.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -842.431308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.431308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.431308 (E_RNA) where: Base-Base interactions energy: -482.838 where: short stacking energy: -249.673 Base-Backbone interact. energy: 0.925 local terms energy: -360.518212 where: bonds (distance) C4'-P energy: -87.284 bonds (distance) P-C4' energy: -109.285 flat angles C4'-P-C4' energy: -89.765 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -20.650 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: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -503.651987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.651987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.651987 (E_RNA) where: Base-Base interactions energy: -187.074 where: short stacking energy: -140.448 Base-Backbone interact. energy: 0.303 local terms energy: -316.881068 where: bonds (distance) C4'-P energy: -107.179 bonds (distance) P-C4' energy: -96.350 flat angles C4'-P-C4' energy: -82.090 flat angles P-C4'-P energy: -53.001 tors. eta vs tors. theta energy: 21.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2102.533702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.533702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.533702 (E_RNA) where: Base-Base interactions energy: -1455.226 where: short stacking energy: -624.835 Base-Backbone interact. energy: -2.098 local terms energy: -645.209700 where: bonds (distance) C4'-P energy: -114.298 bonds (distance) P-C4' energy: -126.202 flat angles C4'-P-C4' energy: -129.869 flat angles P-C4'-P energy: -92.666 tors. eta vs tors. theta energy: -182.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2032.172397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.172397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.172397 (E_RNA) where: Base-Base interactions energy: -1413.774 where: short stacking energy: -587.310 Base-Backbone interact. energy: -2.206 local terms energy: -616.192854 where: bonds (distance) C4'-P energy: -108.117 bonds (distance) P-C4' energy: -116.403 flat angles C4'-P-C4' energy: -130.169 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -182.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1894.407808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.407808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.407808 (E_RNA) where: Base-Base interactions energy: -1305.131 where: short stacking energy: -548.396 Base-Backbone interact. energy: -1.750 local terms energy: -587.526912 where: bonds (distance) C4'-P energy: -113.910 bonds (distance) P-C4' energy: -117.853 flat angles C4'-P-C4' energy: -121.031 flat angles P-C4'-P energy: -85.468 tors. eta vs tors. theta energy: -149.265 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: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1860.468500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.468500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.468500 (E_RNA) where: Base-Base interactions energy: -1254.296 where: short stacking energy: -550.827 Base-Backbone interact. energy: -2.462 local terms energy: -603.710673 where: bonds (distance) C4'-P energy: -111.575 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -124.352 flat angles P-C4'-P energy: -94.119 tors. eta vs tors. theta energy: -162.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1744.256261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.256261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.256261 (E_RNA) where: Base-Base interactions energy: -1185.093 where: short stacking energy: -470.843 Base-Backbone interact. energy: -2.858 local terms energy: -556.305081 where: bonds (distance) C4'-P energy: -114.381 bonds (distance) P-C4' energy: -113.021 flat angles C4'-P-C4' energy: -115.200 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -134.929 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: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1536.920386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.920386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.920386 (E_RNA) where: Base-Base interactions energy: -1020.076 where: short stacking energy: -434.017 Base-Backbone interact. energy: -1.208 local terms energy: -515.637241 where: bonds (distance) C4'-P energy: -107.198 bonds (distance) P-C4' energy: -104.398 flat angles C4'-P-C4' energy: -113.032 flat angles P-C4'-P energy: -68.069 tors. eta vs tors. theta energy: -122.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1261.406699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.406699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.406699 (E_RNA) where: Base-Base interactions energy: -799.443 where: short stacking energy: -350.609 Base-Backbone interact. energy: 2.178 local terms energy: -464.142004 where: bonds (distance) C4'-P energy: -105.715 bonds (distance) P-C4' energy: -122.908 flat angles C4'-P-C4' energy: -107.085 flat angles P-C4'-P energy: -66.688 tors. eta vs tors. theta energy: -61.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -954.967426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.967426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.967426 (E_RNA) where: Base-Base interactions energy: -550.618 where: short stacking energy: -287.121 Base-Backbone interact. energy: -1.705 local terms energy: -402.644654 where: bonds (distance) C4'-P energy: -94.631 bonds (distance) P-C4' energy: -93.970 flat angles C4'-P-C4' energy: -108.646 flat angles P-C4'-P energy: -50.815 tors. eta vs tors. theta energy: -54.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -771.458233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.458233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.458233 (E_RNA) where: Base-Base interactions energy: -388.107 where: short stacking energy: -225.744 Base-Backbone interact. energy: -0.315 local terms energy: -383.035958 where: bonds (distance) C4'-P energy: -93.324 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -95.348 flat angles P-C4'-P energy: -65.373 tors. eta vs tors. theta energy: -19.815 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: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -498.590106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.590106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.590106 (E_RNA) where: Base-Base interactions energy: -215.822 where: short stacking energy: -112.821 Base-Backbone interact. energy: -2.258 local terms energy: -280.509752 where: bonds (distance) C4'-P energy: -97.524 bonds (distance) P-C4' energy: -93.167 flat angles C4'-P-C4' energy: -59.543 flat angles P-C4'-P energy: -53.763 tors. eta vs tors. theta energy: 23.487 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: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2127.580441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.580441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.580441 (E_RNA) where: Base-Base interactions energy: -1464.934 where: short stacking energy: -598.965 Base-Backbone interact. energy: -3.817 local terms energy: -658.830156 where: bonds (distance) C4'-P energy: -122.906 bonds (distance) P-C4' energy: -121.997 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -96.817 tors. eta vs tors. theta energy: -182.262 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: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2009.566656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.566656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.566656 (E_RNA) where: Base-Base interactions energy: -1387.083 where: short stacking energy: -609.821 Base-Backbone interact. energy: -4.917 local terms energy: -617.566677 where: bonds (distance) C4'-P energy: -110.254 bonds (distance) P-C4' energy: -104.888 flat angles C4'-P-C4' energy: -135.394 flat angles P-C4'-P energy: -89.758 tors. eta vs tors. theta energy: -177.273 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: 186 Temperature: 1.000000 Total energy: -1924.166995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.166995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.166995 (E_RNA) where: Base-Base interactions energy: -1311.885 where: short stacking energy: -587.838 Base-Backbone interact. energy: -0.687 local terms energy: -611.594450 where: bonds (distance) C4'-P energy: -113.478 bonds (distance) P-C4' energy: -111.286 flat angles C4'-P-C4' energy: -129.391 flat angles P-C4'-P energy: -80.438 tors. eta vs tors. theta energy: -177.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1817.471181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.471181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.471181 (E_RNA) where: Base-Base interactions energy: -1248.194 where: short stacking energy: -533.903 Base-Backbone interact. energy: -2.064 local terms energy: -567.213490 where: bonds (distance) C4'-P energy: -108.527 bonds (distance) P-C4' energy: -105.698 flat angles C4'-P-C4' energy: -126.261 flat angles P-C4'-P energy: -85.430 tors. eta vs tors. theta energy: -141.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1762.005168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.005168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.005168 (E_RNA) where: Base-Base interactions energy: -1229.326 where: short stacking energy: -531.754 Base-Backbone interact. energy: 0.718 local terms energy: -533.397151 where: bonds (distance) C4'-P energy: -101.200 bonds (distance) P-C4' energy: -103.038 flat angles C4'-P-C4' energy: -115.284 flat angles P-C4'-P energy: -64.258 tors. eta vs tors. theta energy: -149.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1563.101265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.101265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.101265 (E_RNA) where: Base-Base interactions energy: -1027.665 where: short stacking energy: -454.831 Base-Backbone interact. energy: -4.382 local terms energy: -531.054298 where: bonds (distance) C4'-P energy: -103.807 bonds (distance) P-C4' energy: -108.601 flat angles C4'-P-C4' energy: -114.441 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -121.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1212.196915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.196915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.196915 (E_RNA) where: Base-Base interactions energy: -754.015 where: short stacking energy: -322.127 Base-Backbone interact. energy: -1.543 local terms energy: -456.638998 where: bonds (distance) C4'-P energy: -101.014 bonds (distance) P-C4' energy: -118.553 flat angles C4'-P-C4' energy: -105.961 flat angles P-C4'-P energy: -74.343 tors. eta vs tors. theta energy: -56.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -940.618580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.618580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.618580 (E_RNA) where: Base-Base interactions energy: -541.628 where: short stacking energy: -248.961 Base-Backbone interact. energy: -1.376 local terms energy: -397.615014 where: bonds (distance) C4'-P energy: -104.851 bonds (distance) P-C4' energy: -81.386 flat angles C4'-P-C4' energy: -110.244 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: -38.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -760.253114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.253114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.253114 (E_RNA) where: Base-Base interactions energy: -424.544 where: short stacking energy: -210.436 Base-Backbone interact. energy: -2.241 local terms energy: -333.467432 where: bonds (distance) C4'-P energy: -86.513 bonds (distance) P-C4' energy: -101.584 flat angles C4'-P-C4' energy: -82.886 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -10.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -536.748927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.748927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.748927 (E_RNA) where: Base-Base interactions energy: -231.399 where: short stacking energy: -132.023 Base-Backbone interact. energy: -0.040 local terms energy: -305.309381 where: bonds (distance) C4'-P energy: -99.800 bonds (distance) P-C4' energy: -93.852 flat angles C4'-P-C4' energy: -82.021 flat angles P-C4'-P energy: -54.000 tors. eta vs tors. theta energy: 24.364 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: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2094.448769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.448769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.448769 (E_RNA) where: Base-Base interactions energy: -1474.676 where: short stacking energy: -625.249 Base-Backbone interact. energy: -3.080 local terms energy: -616.692819 where: bonds (distance) C4'-P energy: -111.206 bonds (distance) P-C4' energy: -109.748 flat angles C4'-P-C4' energy: -132.639 flat angles P-C4'-P energy: -81.443 tors. eta vs tors. theta energy: -181.658 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: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2017.782042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.782042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.782042 (E_RNA) where: Base-Base interactions energy: -1404.158 where: short stacking energy: -604.175 Base-Backbone interact. energy: -0.045 local terms energy: -613.579097 where: bonds (distance) C4'-P energy: -116.333 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -133.479 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -171.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1940.104153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.104153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.104153 (E_RNA) where: Base-Base interactions energy: -1328.627 where: short stacking energy: -583.047 Base-Backbone interact. energy: -2.474 local terms energy: -609.003657 where: bonds (distance) C4'-P energy: -127.353 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -126.488 flat angles P-C4'-P energy: -81.567 tors. eta vs tors. theta energy: -163.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1814.934191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.934191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.934191 (E_RNA) where: Base-Base interactions energy: -1246.968 where: short stacking energy: -526.191 Base-Backbone interact. energy: 1.425 local terms energy: -569.390764 where: bonds (distance) C4'-P energy: -93.665 bonds (distance) P-C4' energy: -111.961 flat angles C4'-P-C4' energy: -128.252 flat angles P-C4'-P energy: -82.016 tors. eta vs tors. theta energy: -153.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1693.868195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.868195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.868195 (E_RNA) where: Base-Base interactions energy: -1160.881 where: short stacking energy: -476.982 Base-Backbone interact. energy: -0.674 local terms energy: -532.313159 where: bonds (distance) C4'-P energy: -95.471 bonds (distance) P-C4' energy: -115.444 flat angles C4'-P-C4' energy: -114.490 flat angles P-C4'-P energy: -80.042 tors. eta vs tors. theta energy: -126.866 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: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1478.469493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.469493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.469493 (E_RNA) where: Base-Base interactions energy: -985.259 where: short stacking energy: -418.356 Base-Backbone interact. energy: -2.136 local terms energy: -491.074264 where: bonds (distance) C4'-P energy: -102.860 bonds (distance) P-C4' energy: -107.977 flat angles C4'-P-C4' energy: -103.564 flat angles P-C4'-P energy: -71.281 tors. eta vs tors. theta energy: -105.393 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: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1210.374122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.374122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.374122 (E_RNA) where: Base-Base interactions energy: -762.068 where: short stacking energy: -351.967 Base-Backbone interact. energy: 1.941 local terms energy: -450.247764 where: bonds (distance) C4'-P energy: -86.062 bonds (distance) P-C4' energy: -113.147 flat angles C4'-P-C4' energy: -99.867 flat angles P-C4'-P energy: -62.395 tors. eta vs tors. theta energy: -88.777 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: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -971.358580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.358580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.358580 (E_RNA) where: Base-Base interactions energy: -566.135 where: short stacking energy: -291.651 Base-Backbone interact. energy: -1.201 local terms energy: -404.022563 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -111.495 flat angles C4'-P-C4' energy: -94.901 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: -40.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -755.990360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.990360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.990360 (E_RNA) where: Base-Base interactions energy: -405.969 where: short stacking energy: -197.983 Base-Backbone interact. energy: -0.717 local terms energy: -349.304840 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -90.283 flat angles C4'-P-C4' energy: -98.964 flat angles P-C4'-P energy: -62.542 tors. eta vs tors. theta energy: -1.504 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: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -493.247804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.247804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.247804 (E_RNA) where: Base-Base interactions energy: -206.513 where: short stacking energy: -128.751 Base-Backbone interact. energy: -0.020 local terms energy: -286.714289 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -108.692 flat angles C4'-P-C4' energy: -81.719 flat angles P-C4'-P energy: -25.731 tors. eta vs tors. theta energy: 16.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2079.913100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.913100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.913100 (E_RNA) where: Base-Base interactions energy: -1444.414 where: short stacking energy: -598.303 Base-Backbone interact. energy: -4.685 local terms energy: -630.813789 where: bonds (distance) C4'-P energy: -109.586 bonds (distance) P-C4' energy: -124.482 flat angles C4'-P-C4' energy: -140.447 flat angles P-C4'-P energy: -90.121 tors. eta vs tors. theta energy: -166.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1994.491643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.491643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.491643 (E_RNA) where: Base-Base interactions energy: -1367.776 where: short stacking energy: -599.088 Base-Backbone interact. energy: -2.406 local terms energy: -624.309770 where: bonds (distance) C4'-P energy: -118.090 bonds (distance) P-C4' energy: -110.747 flat angles C4'-P-C4' energy: -134.967 flat angles P-C4'-P energy: -86.029 tors. eta vs tors. theta energy: -174.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1937.915649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.915649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.915649 (E_RNA) where: Base-Base interactions energy: -1336.081 where: short stacking energy: -546.947 Base-Backbone interact. energy: -4.642 local terms energy: -597.192915 where: bonds (distance) C4'-P energy: -123.833 bonds (distance) P-C4' energy: -108.562 flat angles C4'-P-C4' energy: -108.054 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -158.217 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: 4, replica: 10 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1829.685413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.685413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.685413 (E_RNA) where: Base-Base interactions energy: -1257.573 where: short stacking energy: -524.947 Base-Backbone interact. energy: -1.330 local terms energy: -570.782244 where: bonds (distance) C4'-P energy: -103.114 bonds (distance) P-C4' energy: -113.553 flat angles C4'-P-C4' energy: -126.617 flat angles P-C4'-P energy: -69.501 tors. eta vs tors. theta energy: -157.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1653.554397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.554397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.554397 (E_RNA) where: Base-Base interactions energy: -1132.828 where: short stacking energy: -469.628 Base-Backbone interact. energy: 0.858 local terms energy: -521.584336 where: bonds (distance) C4'-P energy: -108.533 bonds (distance) P-C4' energy: -109.600 flat angles C4'-P-C4' energy: -121.170 flat angles P-C4'-P energy: -72.738 tors. eta vs tors. theta energy: -109.544 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: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1422.840374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.840374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.840374 (E_RNA) where: Base-Base interactions energy: -934.311 where: short stacking energy: -395.656 Base-Backbone interact. energy: 2.833 local terms energy: -491.362093 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -110.953 flat angles C4'-P-C4' energy: -116.535 flat angles P-C4'-P energy: -62.831 tors. eta vs tors. theta energy: -83.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1238.471142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.471142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.471142 (E_RNA) where: Base-Base interactions energy: -761.420 where: short stacking energy: -370.917 Base-Backbone interact. energy: -1.350 local terms energy: -475.701083 where: bonds (distance) C4'-P energy: -90.457 bonds (distance) P-C4' energy: -110.964 flat angles C4'-P-C4' energy: -118.666 flat angles P-C4'-P energy: -66.802 tors. eta vs tors. theta energy: -88.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -937.538283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.538283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.538283 (E_RNA) where: Base-Base interactions energy: -541.691 where: short stacking energy: -256.717 Base-Backbone interact. energy: -2.626 local terms energy: -393.221799 where: bonds (distance) C4'-P energy: -108.010 bonds (distance) P-C4' energy: -94.709 flat angles C4'-P-C4' energy: -99.329 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -40.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -771.865950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.865950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.865950 (E_RNA) where: Base-Base interactions energy: -435.547 where: short stacking energy: -222.784 Base-Backbone interact. energy: 0.776 local terms energy: -337.094642 where: bonds (distance) C4'-P energy: -96.224 bonds (distance) P-C4' energy: -66.202 flat angles C4'-P-C4' energy: -110.236 flat angles P-C4'-P energy: -36.800 tors. eta vs tors. theta energy: -27.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -517.716276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.716276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.716276 (E_RNA) where: Base-Base interactions energy: -226.305 where: short stacking energy: -145.885 Base-Backbone interact. energy: 3.915 local terms energy: -295.325929 where: bonds (distance) C4'-P energy: -104.891 bonds (distance) P-C4' energy: -87.844 flat angles C4'-P-C4' energy: -86.268 flat angles P-C4'-P energy: -44.306 tors. eta vs tors. theta energy: 27.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2083.934854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.934854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.934854 (E_RNA) where: Base-Base interactions energy: -1454.818 where: short stacking energy: -607.605 Base-Backbone interact. energy: -3.646 local terms energy: -625.470793 where: bonds (distance) C4'-P energy: -110.890 bonds (distance) P-C4' energy: -116.205 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -96.917 tors. eta vs tors. theta energy: -168.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2015.750101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.750101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.750101 (E_RNA) where: Base-Base interactions energy: -1414.683 where: short stacking energy: -567.801 Base-Backbone interact. energy: 0.526 local terms energy: -601.592916 where: bonds (distance) C4'-P energy: -115.225 bonds (distance) P-C4' energy: -106.000 flat angles C4'-P-C4' energy: -129.221 flat angles P-C4'-P energy: -79.908 tors. eta vs tors. theta energy: -171.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1923.229307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.229307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.229307 (E_RNA) where: Base-Base interactions energy: -1347.531 where: short stacking energy: -572.046 Base-Backbone interact. energy: 1.640 local terms energy: -577.338208 where: bonds (distance) C4'-P energy: -100.214 bonds (distance) P-C4' energy: -113.970 flat angles C4'-P-C4' energy: -131.722 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -160.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1828.581809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.581809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.581809 (E_RNA) where: Base-Base interactions energy: -1258.102 where: short stacking energy: -528.136 Base-Backbone interact. energy: -0.995 local terms energy: -569.484838 where: bonds (distance) C4'-P energy: -104.694 bonds (distance) P-C4' energy: -119.890 flat angles C4'-P-C4' energy: -122.241 flat angles P-C4'-P energy: -73.066 tors. eta vs tors. theta energy: -149.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1685.338531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.338531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.338531 (E_RNA) where: Base-Base interactions energy: -1165.723 where: short stacking energy: -498.201 Base-Backbone interact. energy: -1.787 local terms energy: -517.829172 where: bonds (distance) C4'-P energy: -96.209 bonds (distance) P-C4' energy: -92.638 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -80.134 tors. eta vs tors. theta energy: -129.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1407.519717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.519717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.519717 (E_RNA) where: Base-Base interactions energy: -913.893 where: short stacking energy: -384.577 Base-Backbone interact. energy: -3.223 local terms energy: -490.404232 where: bonds (distance) C4'-P energy: -90.539 bonds (distance) P-C4' energy: -110.922 flat angles C4'-P-C4' energy: -113.455 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -95.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1203.215673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.215673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.215673 (E_RNA) where: Base-Base interactions energy: -737.900 where: short stacking energy: -364.809 Base-Backbone interact. energy: 0.407 local terms energy: -465.722776 where: bonds (distance) C4'-P energy: -108.191 bonds (distance) P-C4' energy: -102.403 flat angles C4'-P-C4' energy: -107.818 flat angles P-C4'-P energy: -83.926 tors. eta vs tors. theta energy: -63.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1007.163108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.163108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.163108 (E_RNA) where: Base-Base interactions energy: -571.698 where: short stacking energy: -275.681 Base-Backbone interact. energy: -0.135 local terms energy: -435.330139 where: bonds (distance) C4'-P energy: -107.662 bonds (distance) P-C4' energy: -106.274 flat angles C4'-P-C4' energy: -114.255 flat angles P-C4'-P energy: -67.343 tors. eta vs tors. theta energy: -39.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -721.210101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.210101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.210101 (E_RNA) where: Base-Base interactions energy: -376.826 where: short stacking energy: -213.294 Base-Backbone interact. energy: 1.099 local terms energy: -345.482999 where: bonds (distance) C4'-P energy: -95.224 bonds (distance) P-C4' energy: -97.822 flat angles C4'-P-C4' energy: -82.303 flat angles P-C4'-P energy: -59.708 tors. eta vs tors. theta energy: -10.425 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: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -505.360224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.360224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.360224 (E_RNA) where: Base-Base interactions energy: -212.851 where: short stacking energy: -140.360 Base-Backbone interact. energy: 2.172 local terms energy: -294.681506 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -101.819 flat angles C4'-P-C4' energy: -82.263 flat angles P-C4'-P energy: -41.081 tors. eta vs tors. theta energy: 22.701 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: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2083.804500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.804500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.804500 (E_RNA) where: Base-Base interactions energy: -1438.176 where: short stacking energy: -582.577 Base-Backbone interact. energy: -1.214 local terms energy: -644.414850 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -130.600 flat angles C4'-P-C4' energy: -130.568 flat angles P-C4'-P energy: -83.613 tors. eta vs tors. theta energy: -175.989 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: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1972.934091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.934091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.934091 (E_RNA) where: Base-Base interactions energy: -1351.755 where: short stacking energy: -567.700 Base-Backbone interact. energy: -2.572 local terms energy: -618.607124 where: bonds (distance) C4'-P energy: -114.763 bonds (distance) P-C4' energy: -113.918 flat angles C4'-P-C4' energy: -133.143 flat angles P-C4'-P energy: -82.819 tors. eta vs tors. theta energy: -173.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1931.327072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.327072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.327072 (E_RNA) where: Base-Base interactions energy: -1351.305 where: short stacking energy: -583.069 Base-Backbone interact. energy: -1.734 local terms energy: -578.287733 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -109.151 flat angles C4'-P-C4' energy: -130.675 flat angles P-C4'-P energy: -73.197 tors. eta vs tors. theta energy: -163.821 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: 10 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1831.237999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.237999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.237999 (E_RNA) where: Base-Base interactions energy: -1276.499 where: short stacking energy: -548.321 Base-Backbone interact. energy: -1.814 local terms energy: -552.924186 where: bonds (distance) C4'-P energy: -100.337 bonds (distance) P-C4' energy: -104.790 flat angles C4'-P-C4' energy: -119.063 flat angles P-C4'-P energy: -80.864 tors. eta vs tors. theta energy: -147.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1729.201044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.201044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.201044 (E_RNA) where: Base-Base interactions energy: -1163.670 where: short stacking energy: -497.846 Base-Backbone interact. energy: -2.729 local terms energy: -562.802160 where: bonds (distance) C4'-P energy: -111.349 bonds (distance) P-C4' energy: -112.423 flat angles C4'-P-C4' energy: -119.218 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -140.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1472.368431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.368431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.368431 (E_RNA) where: Base-Base interactions energy: -964.740 where: short stacking energy: -431.301 Base-Backbone interact. energy: 0.014 local terms energy: -507.642350 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -110.779 flat angles P-C4'-P energy: -75.585 tors. eta vs tors. theta energy: -113.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1230.452424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.452424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.452424 (E_RNA) where: Base-Base interactions energy: -783.433 where: short stacking energy: -355.544 Base-Backbone interact. energy: 3.111 local terms energy: -450.129623 where: bonds (distance) C4'-P energy: -100.704 bonds (distance) P-C4' energy: -117.868 flat angles C4'-P-C4' energy: -104.869 flat angles P-C4'-P energy: -64.657 tors. eta vs tors. theta energy: -62.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1014.931836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.931836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.931836 (E_RNA) where: Base-Base interactions energy: -613.291 where: short stacking energy: -312.946 Base-Backbone interact. energy: -0.626 local terms energy: -401.014730 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -96.331 flat angles C4'-P-C4' energy: -98.440 flat angles P-C4'-P energy: -61.517 tors. eta vs tors. theta energy: -53.523 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: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -663.084968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.084968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.084968 (E_RNA) where: Base-Base interactions energy: -365.868 where: short stacking energy: -203.289 Base-Backbone interact. energy: -0.774 local terms energy: -296.442780 where: bonds (distance) C4'-P energy: -75.879 bonds (distance) P-C4' energy: -97.397 flat angles C4'-P-C4' energy: -57.026 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -524.911026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.911026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.911026 (E_RNA) where: Base-Base interactions energy: -203.983 where: short stacking energy: -143.399 Base-Backbone interact. energy: -0.519 local terms energy: -320.408943 where: bonds (distance) C4'-P energy: -81.012 bonds (distance) P-C4' energy: -108.470 flat angles C4'-P-C4' energy: -82.899 flat angles P-C4'-P energy: -60.575 tors. eta vs tors. theta energy: 12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2092.205064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.205064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.205064 (E_RNA) where: Base-Base interactions energy: -1439.341 where: short stacking energy: -608.115 Base-Backbone interact. energy: -2.555 local terms energy: -650.308681 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -127.683 flat angles C4'-P-C4' energy: -134.198 flat angles P-C4'-P energy: -85.055 tors. eta vs tors. theta energy: -178.716 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: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1984.446249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.446249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.446249 (E_RNA) where: Base-Base interactions energy: -1331.947 where: short stacking energy: -568.086 Base-Backbone interact. energy: -4.544 local terms energy: -647.955340 where: bonds (distance) C4'-P energy: -111.437 bonds (distance) P-C4' energy: -127.187 flat angles C4'-P-C4' energy: -140.278 flat angles P-C4'-P energy: -97.732 tors. eta vs tors. theta energy: -171.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1946.275354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.275354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.275354 (E_RNA) where: Base-Base interactions energy: -1356.011 where: short stacking energy: -576.537 Base-Backbone interact. energy: -2.426 local terms energy: -587.838588 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -117.300 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -74.594 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: 4, replica: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1849.442791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.442791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.442791 (E_RNA) where: Base-Base interactions energy: -1266.365 where: short stacking energy: -538.928 Base-Backbone interact. energy: -0.910 local terms energy: -582.167869 where: bonds (distance) C4'-P energy: -115.163 bonds (distance) P-C4' energy: -118.952 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -79.869 tors. eta vs tors. theta energy: -145.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1743.257897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.257897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.257897 (E_RNA) where: Base-Base interactions energy: -1171.899 where: short stacking energy: -528.555 Base-Backbone interact. energy: -1.441 local terms energy: -569.918187 where: bonds (distance) C4'-P energy: -108.300 bonds (distance) P-C4' energy: -100.396 flat angles C4'-P-C4' energy: -127.198 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -154.981 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: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1499.049158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.049158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.049158 (E_RNA) where: Base-Base interactions energy: -982.306 where: short stacking energy: -433.255 Base-Backbone interact. energy: 0.618 local terms energy: -517.362058 where: bonds (distance) C4'-P energy: -111.803 bonds (distance) P-C4' energy: -118.702 flat angles C4'-P-C4' energy: -110.518 flat angles P-C4'-P energy: -67.360 tors. eta vs tors. theta energy: -108.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1237.211857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.211857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.211857 (E_RNA) where: Base-Base interactions energy: -790.882 where: short stacking energy: -364.345 Base-Backbone interact. energy: 0.145 local terms energy: -446.475239 where: bonds (distance) C4'-P energy: -96.004 bonds (distance) P-C4' energy: -110.984 flat angles C4'-P-C4' energy: -92.814 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -74.933 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: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1009.641599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.641599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.641599 (E_RNA) where: Base-Base interactions energy: -616.967 where: short stacking energy: -294.883 Base-Backbone interact. energy: 0.983 local terms energy: -393.657601 where: bonds (distance) C4'-P energy: -104.324 bonds (distance) P-C4' energy: -83.069 flat angles C4'-P-C4' energy: -93.824 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -60.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -646.356001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.356001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.356001 (E_RNA) where: Base-Base interactions energy: -301.632 where: short stacking energy: -188.603 Base-Backbone interact. energy: 2.962 local terms energy: -347.685748 where: bonds (distance) C4'-P energy: -99.833 bonds (distance) P-C4' energy: -88.961 flat angles C4'-P-C4' energy: -94.117 flat angles P-C4'-P energy: -57.660 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -498.730795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.730795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.730795 (E_RNA) where: Base-Base interactions energy: -191.354 where: short stacking energy: -157.062 Base-Backbone interact. energy: 10.415 local terms energy: -317.791740 where: bonds (distance) C4'-P energy: -114.728 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -82.363 flat angles P-C4'-P energy: -18.805 tors. eta vs tors. theta energy: 2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2092.352728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.352728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.352728 (E_RNA) where: Base-Base interactions energy: -1447.426 where: short stacking energy: -602.637 Base-Backbone interact. energy: -3.300 local terms energy: -641.626901 where: bonds (distance) C4'-P energy: -113.027 bonds (distance) P-C4' energy: -126.811 flat angles C4'-P-C4' energy: -131.021 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: -179.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1960.489831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.489831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.489831 (E_RNA) where: Base-Base interactions energy: -1363.099 where: short stacking energy: -583.072 Base-Backbone interact. energy: -3.159 local terms energy: -594.231456 where: bonds (distance) C4'-P energy: -99.266 bonds (distance) P-C4' energy: -103.157 flat angles C4'-P-C4' energy: -126.303 flat angles P-C4'-P energy: -91.243 tors. eta vs tors. theta energy: -174.261 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: 192 Temperature: 1.000000 Total energy: -1961.231878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.231878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.231878 (E_RNA) where: Base-Base interactions energy: -1336.529 where: short stacking energy: -580.041 Base-Backbone interact. energy: -1.421 local terms energy: -623.282085 where: bonds (distance) C4'-P energy: -111.167 bonds (distance) P-C4' energy: -115.876 flat angles C4'-P-C4' energy: -141.227 flat angles P-C4'-P energy: -91.903 tors. eta vs tors. theta energy: -163.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1821.848342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.848342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.848342 (E_RNA) where: Base-Base interactions energy: -1246.388 where: short stacking energy: -500.938 Base-Backbone interact. energy: -1.028 local terms energy: -574.431848 where: bonds (distance) C4'-P energy: -115.758 bonds (distance) P-C4' energy: -116.377 flat angles C4'-P-C4' energy: -118.017 flat angles P-C4'-P energy: -77.090 tors. eta vs tors. theta energy: -147.189 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: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1738.820048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.820048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.820048 (E_RNA) where: Base-Base interactions energy: -1172.557 where: short stacking energy: -487.498 Base-Backbone interact. energy: -3.283 local terms energy: -562.980041 where: bonds (distance) C4'-P energy: -118.917 bonds (distance) P-C4' energy: -119.582 flat angles C4'-P-C4' energy: -119.863 flat angles P-C4'-P energy: -70.311 tors. eta vs tors. theta energy: -134.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1505.797606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.797606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.797606 (E_RNA) where: Base-Base interactions energy: -1025.032 where: short stacking energy: -410.300 Base-Backbone interact. energy: -2.310 local terms energy: -478.455458 where: bonds (distance) C4'-P energy: -106.711 bonds (distance) P-C4' energy: -101.274 flat angles C4'-P-C4' energy: -98.347 flat angles P-C4'-P energy: -56.199 tors. eta vs tors. theta energy: -115.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1276.719419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.719419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.719419 (E_RNA) where: Base-Base interactions energy: -787.590 where: short stacking energy: -351.621 Base-Backbone interact. energy: -5.092 local terms energy: -484.037414 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -118.453 flat angles C4'-P-C4' energy: -116.389 flat angles P-C4'-P energy: -68.065 tors. eta vs tors. theta energy: -83.977 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: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1028.000145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.000145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.000145 (E_RNA) where: Base-Base interactions energy: -609.089 where: short stacking energy: -296.343 Base-Backbone interact. energy: -2.982 local terms energy: -415.929176 where: bonds (distance) C4'-P energy: -111.003 bonds (distance) P-C4' energy: -105.440 flat angles C4'-P-C4' energy: -90.435 flat angles P-C4'-P energy: -50.408 tors. eta vs tors. theta energy: -58.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -604.832722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.832722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.832722 (E_RNA) where: Base-Base interactions energy: -268.710 where: short stacking energy: -154.363 Base-Backbone interact. energy: -0.094 local terms energy: -336.028627 where: bonds (distance) C4'-P energy: -105.905 bonds (distance) P-C4' energy: -99.938 flat angles C4'-P-C4' energy: -82.952 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: 5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -485.771884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.771884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.771884 (E_RNA) where: Base-Base interactions energy: -180.401 where: short stacking energy: -132.460 Base-Backbone interact. energy: -1.836 local terms energy: -303.535500 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -106.080 flat angles C4'-P-C4' energy: -68.493 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: 11.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2099.281391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.281391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.281391 (E_RNA) where: Base-Base interactions energy: -1441.589 where: short stacking energy: -591.759 Base-Backbone interact. energy: -1.903 local terms energy: -655.789386 where: bonds (distance) C4'-P energy: -114.416 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -141.750 flat angles P-C4'-P energy: -86.592 tors. eta vs tors. theta energy: -181.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1997.717567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.717567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.717567 (E_RNA) where: Base-Base interactions energy: -1367.040 where: short stacking energy: -588.274 Base-Backbone interact. energy: 0.587 local terms energy: -631.264569 where: bonds (distance) C4'-P energy: -100.498 bonds (distance) P-C4' energy: -128.187 flat angles C4'-P-C4' energy: -134.494 flat angles P-C4'-P energy: -95.920 tors. eta vs tors. theta energy: -172.166 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: 3, replica: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1954.073562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.073562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.073562 (E_RNA) where: Base-Base interactions energy: -1351.329 where: short stacking energy: -584.671 Base-Backbone interact. energy: -1.351 local terms energy: -601.394091 where: bonds (distance) C4'-P energy: -92.378 bonds (distance) P-C4' energy: -115.955 flat angles C4'-P-C4' energy: -132.118 flat angles P-C4'-P energy: -86.469 tors. eta vs tors. theta energy: -174.473 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: 4, replica: 10 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1851.556080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.556080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.556080 (E_RNA) where: Base-Base interactions energy: -1259.635 where: short stacking energy: -538.316 Base-Backbone interact. energy: 0.876 local terms energy: -592.796589 where: bonds (distance) C4'-P energy: -118.651 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -116.539 flat angles P-C4'-P energy: -84.793 tors. eta vs tors. theta energy: -152.964 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: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1739.976663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.976663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.976663 (E_RNA) where: Base-Base interactions energy: -1191.025 where: short stacking energy: -496.982 Base-Backbone interact. energy: -1.172 local terms energy: -547.780025 where: bonds (distance) C4'-P energy: -101.967 bonds (distance) P-C4' energy: -110.704 flat angles C4'-P-C4' energy: -122.871 flat angles P-C4'-P energy: -79.273 tors. eta vs tors. theta energy: -132.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1537.024135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.024135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.024135 (E_RNA) where: Base-Base interactions energy: -1018.867 where: short stacking energy: -451.182 Base-Backbone interact. energy: 3.011 local terms energy: -521.167589 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -123.304 flat angles C4'-P-C4' energy: -118.975 flat angles P-C4'-P energy: -69.666 tors. eta vs tors. theta energy: -109.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1270.447038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.447038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.447038 (E_RNA) where: Base-Base interactions energy: -809.044 where: short stacking energy: -380.275 Base-Backbone interact. energy: -2.537 local terms energy: -458.866302 where: bonds (distance) C4'-P energy: -105.231 bonds (distance) P-C4' energy: -100.423 flat angles C4'-P-C4' energy: -106.304 flat angles P-C4'-P energy: -73.462 tors. eta vs tors. theta energy: -73.446 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: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1052.826106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.826106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.826106 (E_RNA) where: Base-Base interactions energy: -651.947 where: short stacking energy: -295.302 Base-Backbone interact. energy: -3.225 local terms energy: -397.653733 where: bonds (distance) C4'-P energy: -107.948 bonds (distance) P-C4' energy: -100.934 flat angles C4'-P-C4' energy: -97.589 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -40.095 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: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -620.766287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.766287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.766287 (E_RNA) where: Base-Base interactions energy: -263.348 where: short stacking energy: -149.718 Base-Backbone interact. energy: -4.870 local terms energy: -352.547994 where: bonds (distance) C4'-P energy: -99.505 bonds (distance) P-C4' energy: -93.755 flat angles C4'-P-C4' energy: -99.500 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -10.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -480.143862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.143862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.143862 (E_RNA) where: Base-Base interactions energy: -224.273 where: short stacking energy: -137.436 Base-Backbone interact. energy: -0.090 local terms energy: -255.780970 where: bonds (distance) C4'-P energy: -82.505 bonds (distance) P-C4' energy: -87.138 flat angles C4'-P-C4' energy: -76.999 flat angles P-C4'-P energy: -28.591 tors. eta vs tors. theta energy: 19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2099.524317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.524317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.524317 (E_RNA) where: Base-Base interactions energy: -1465.936 where: short stacking energy: -626.746 Base-Backbone interact. energy: -2.056 local terms energy: -631.532940 where: bonds (distance) C4'-P energy: -117.110 bonds (distance) P-C4' energy: -117.761 flat angles C4'-P-C4' energy: -128.752 flat angles P-C4'-P energy: -84.764 tors. eta vs tors. theta energy: -183.145 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: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1996.543972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.543972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.543972 (E_RNA) where: Base-Base interactions energy: -1405.829 where: short stacking energy: -597.207 Base-Backbone interact. energy: 1.782 local terms energy: -592.497241 where: bonds (distance) C4'-P energy: -96.301 bonds (distance) P-C4' energy: -106.052 flat angles C4'-P-C4' energy: -134.525 flat angles P-C4'-P energy: -90.517 tors. eta vs tors. theta energy: -165.102 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: 3, replica: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1910.328160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.328160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.328160 (E_RNA) where: Base-Base interactions energy: -1308.576 where: short stacking energy: -558.745 Base-Backbone interact. energy: -2.789 local terms energy: -598.963488 where: bonds (distance) C4'-P energy: -112.375 bonds (distance) P-C4' energy: -105.135 flat angles C4'-P-C4' energy: -128.835 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -174.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1866.932508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.932508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.932508 (E_RNA) where: Base-Base interactions energy: -1290.487 where: short stacking energy: -523.838 Base-Backbone interact. energy: -4.197 local terms energy: -572.248427 where: bonds (distance) C4'-P energy: -105.232 bonds (distance) P-C4' energy: -120.466 flat angles C4'-P-C4' energy: -107.710 flat angles P-C4'-P energy: -82.623 tors. eta vs tors. theta energy: -156.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1709.384923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.384923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.384923 (E_RNA) where: Base-Base interactions energy: -1143.761 where: short stacking energy: -503.272 Base-Backbone interact. energy: 1.205 local terms energy: -566.828111 where: bonds (distance) C4'-P energy: -111.647 bonds (distance) P-C4' energy: -110.121 flat angles C4'-P-C4' energy: -120.483 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -147.881 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: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1539.697303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.697303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.697303 (E_RNA) where: Base-Base interactions energy: -1052.819 where: short stacking energy: -450.479 Base-Backbone interact. energy: -0.949 local terms energy: -485.929681 where: bonds (distance) C4'-P energy: -97.969 bonds (distance) P-C4' energy: -100.597 flat angles C4'-P-C4' energy: -95.454 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -128.446 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: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1257.348000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.348000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.348000 (E_RNA) where: Base-Base interactions energy: -800.746 where: short stacking energy: -368.255 Base-Backbone interact. energy: -4.331 local terms energy: -452.271667 where: bonds (distance) C4'-P energy: -97.404 bonds (distance) P-C4' energy: -100.964 flat angles C4'-P-C4' energy: -101.049 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -76.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1070.396030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.396030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.396030 (E_RNA) where: Base-Base interactions energy: -675.143 where: short stacking energy: -304.880 Base-Backbone interact. energy: -3.694 local terms energy: -391.558632 where: bonds (distance) C4'-P energy: -94.611 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -94.997 flat angles P-C4'-P energy: -66.908 tors. eta vs tors. theta energy: -54.865 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: 194 Temperature: 1.300000 Total energy: -597.421025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.421025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.421025 (E_RNA) where: Base-Base interactions energy: -270.081 where: short stacking energy: -159.833 Base-Backbone interact. energy: 2.778 local terms energy: -330.118068 where: bonds (distance) C4'-P energy: -97.333 bonds (distance) P-C4' energy: -100.998 flat angles C4'-P-C4' energy: -92.114 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: 7.630 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: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -489.532792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.532792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.532792 (E_RNA) where: Base-Base interactions energy: -202.791 where: short stacking energy: -153.359 Base-Backbone interact. energy: 2.390 local terms energy: -289.132276 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -109.767 flat angles C4'-P-C4' energy: -68.674 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: 19.517 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: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2103.157442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.157442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.157442 (E_RNA) where: Base-Base interactions energy: -1449.771 where: short stacking energy: -592.228 Base-Backbone interact. energy: -6.650 local terms energy: -646.737037 where: bonds (distance) C4'-P energy: -127.159 bonds (distance) P-C4' energy: -107.976 flat angles C4'-P-C4' energy: -136.216 flat angles P-C4'-P energy: -88.607 tors. eta vs tors. theta energy: -186.778 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: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1991.485077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.485077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.485077 (E_RNA) where: Base-Base interactions energy: -1370.837 where: short stacking energy: -596.040 Base-Backbone interact. energy: -3.127 local terms energy: -617.520669 where: bonds (distance) C4'-P energy: -112.873 bonds (distance) P-C4' energy: -117.331 flat angles C4'-P-C4' energy: -130.703 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -173.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1973.834871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.834871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.834871 (E_RNA) where: Base-Base interactions energy: -1371.363 where: short stacking energy: -580.307 Base-Backbone interact. energy: -1.257 local terms energy: -601.214947 where: bonds (distance) C4'-P energy: -105.279 bonds (distance) P-C4' energy: -124.670 flat angles C4'-P-C4' energy: -121.368 flat angles P-C4'-P energy: -84.509 tors. eta vs tors. theta energy: -165.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1844.079276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.079276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.079276 (E_RNA) where: Base-Base interactions energy: -1274.501 where: short stacking energy: -509.003 Base-Backbone interact. energy: -3.972 local terms energy: -565.606458 where: bonds (distance) C4'-P energy: -106.226 bonds (distance) P-C4' energy: -109.025 flat angles C4'-P-C4' energy: -107.632 flat angles P-C4'-P energy: -81.750 tors. eta vs tors. theta energy: -160.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1761.495539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.495539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.495539 (E_RNA) where: Base-Base interactions energy: -1188.332 where: short stacking energy: -506.507 Base-Backbone interact. energy: -2.308 local terms energy: -570.855789 where: bonds (distance) C4'-P energy: -106.705 bonds (distance) P-C4' energy: -109.851 flat angles C4'-P-C4' energy: -127.342 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -142.495 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: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1526.738993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.738993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.738993 (E_RNA) where: Base-Base interactions energy: -1007.816 where: short stacking energy: -425.187 Base-Backbone interact. energy: -1.506 local terms energy: -517.416724 where: bonds (distance) C4'-P energy: -103.714 bonds (distance) P-C4' energy: -107.438 flat angles C4'-P-C4' energy: -121.212 flat angles P-C4'-P energy: -68.771 tors. eta vs tors. theta energy: -116.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1208.006656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.006656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.006656 (E_RNA) where: Base-Base interactions energy: -739.196 where: short stacking energy: -349.189 Base-Backbone interact. energy: -3.110 local terms energy: -465.700392 where: bonds (distance) C4'-P energy: -100.182 bonds (distance) P-C4' energy: -103.223 flat angles C4'-P-C4' energy: -105.864 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -75.834 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: 5 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1035.402330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.402330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.402330 (E_RNA) where: Base-Base interactions energy: -625.959 where: short stacking energy: -299.833 Base-Backbone interact. energy: -0.956 local terms energy: -408.487806 where: bonds (distance) C4'-P energy: -103.837 bonds (distance) P-C4' energy: -110.099 flat angles C4'-P-C4' energy: -94.433 flat angles P-C4'-P energy: -49.654 tors. eta vs tors. theta energy: -50.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -660.773970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.773970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.773970 (E_RNA) where: Base-Base interactions energy: -309.263 where: short stacking energy: -148.473 Base-Backbone interact. energy: -6.289 local terms energy: -345.222056 where: bonds (distance) C4'-P energy: -113.139 bonds (distance) P-C4' energy: -101.285 flat angles C4'-P-C4' energy: -89.400 flat angles P-C4'-P energy: -52.567 tors. eta vs tors. theta energy: 11.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -438.752833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.752833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.752833 (E_RNA) where: Base-Base interactions energy: -188.824 where: short stacking energy: -145.359 Base-Backbone interact. energy: 14.510 local terms energy: -264.439078 where: bonds (distance) C4'-P energy: -86.119 bonds (distance) P-C4' energy: -92.608 flat angles C4'-P-C4' energy: -78.554 flat angles P-C4'-P energy: -38.872 tors. eta vs tors. theta energy: 31.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2087.839091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.839091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.839091 (E_RNA) where: Base-Base interactions energy: -1409.913 where: short stacking energy: -579.633 Base-Backbone interact. energy: -3.762 local terms energy: -674.164298 where: bonds (distance) C4'-P energy: -122.930 bonds (distance) P-C4' energy: -138.621 flat angles C4'-P-C4' energy: -141.266 flat angles P-C4'-P energy: -94.658 tors. eta vs tors. theta energy: -176.690 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: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2012.237808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.237808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.237808 (E_RNA) where: Base-Base interactions energy: -1381.951 where: short stacking energy: -592.627 Base-Backbone interact. energy: 0.443 local terms energy: -630.729812 where: bonds (distance) C4'-P energy: -116.126 bonds (distance) P-C4' energy: -122.514 flat angles C4'-P-C4' energy: -124.193 flat angles P-C4'-P energy: -97.342 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: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1965.352638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.352638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.352638 (E_RNA) where: Base-Base interactions energy: -1360.740 where: short stacking energy: -578.639 Base-Backbone interact. energy: -2.504 local terms energy: -602.108785 where: bonds (distance) C4'-P energy: -108.566 bonds (distance) P-C4' energy: -122.341 flat angles C4'-P-C4' energy: -133.151 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -166.034 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: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1872.780010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.780010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.780010 (E_RNA) where: Base-Base interactions energy: -1277.629 where: short stacking energy: -549.110 Base-Backbone interact. energy: -0.270 local terms energy: -594.880895 where: bonds (distance) C4'-P energy: -110.326 bonds (distance) P-C4' energy: -117.835 flat angles C4'-P-C4' energy: -126.766 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -163.533 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: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1733.283763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.283763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.283763 (E_RNA) where: Base-Base interactions energy: -1196.437 where: short stacking energy: -500.949 Base-Backbone interact. energy: -2.546 local terms energy: -534.301431 where: bonds (distance) C4'-P energy: -91.583 bonds (distance) P-C4' energy: -102.960 flat angles C4'-P-C4' energy: -117.758 flat angles P-C4'-P energy: -87.396 tors. eta vs tors. theta energy: -134.605 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: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1539.896554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.896554 (E_RNA) where: Base-Base interactions energy: -1022.129 where: short stacking energy: -452.791 Base-Backbone interact. energy: 0.776 local terms energy: -518.543736 where: bonds (distance) C4'-P energy: -108.729 bonds (distance) P-C4' energy: -118.143 flat angles C4'-P-C4' energy: -118.827 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -106.543 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: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1195.434881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.434881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.434881 (E_RNA) where: Base-Base interactions energy: -752.003 where: short stacking energy: -369.420 Base-Backbone interact. energy: 2.606 local terms energy: -446.037772 where: bonds (distance) C4'-P energy: -103.646 bonds (distance) P-C4' energy: -81.446 flat angles C4'-P-C4' energy: -104.171 flat angles P-C4'-P energy: -71.047 tors. eta vs tors. theta energy: -85.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -956.494305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.494305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.494305 (E_RNA) where: Base-Base interactions energy: -550.821 where: short stacking energy: -273.484 Base-Backbone interact. energy: -3.586 local terms energy: -402.087208 where: bonds (distance) C4'-P energy: -96.127 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -96.267 flat angles P-C4'-P energy: -58.852 tors. eta vs tors. theta energy: -42.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -641.255463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.255463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.255463 (E_RNA) where: Base-Base interactions energy: -321.348 where: short stacking energy: -196.032 Base-Backbone interact. energy: -1.113 local terms energy: -318.794731 where: bonds (distance) C4'-P energy: -96.818 bonds (distance) P-C4' energy: -85.931 flat angles C4'-P-C4' energy: -80.500 flat angles P-C4'-P energy: -37.831 tors. eta vs tors. theta energy: -17.716 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: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -466.064152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.064152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.064152 (E_RNA) where: Base-Base interactions energy: -164.055 where: short stacking energy: -137.939 Base-Backbone interact. energy: -1.125 local terms energy: -300.883536 where: bonds (distance) C4'-P energy: -86.252 bonds (distance) P-C4' energy: -105.091 flat angles C4'-P-C4' energy: -71.881 flat angles P-C4'-P energy: -52.020 tors. eta vs tors. theta energy: 14.361 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: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2066.549980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.549980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.549980 (E_RNA) where: Base-Base interactions energy: -1428.383 where: short stacking energy: -609.409 Base-Backbone interact. energy: -1.850 local terms energy: -636.317258 where: bonds (distance) C4'-P energy: -121.666 bonds (distance) P-C4' energy: -125.167 flat angles C4'-P-C4' energy: -127.876 flat angles P-C4'-P energy: -81.020 tors. eta vs tors. theta energy: -180.588 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: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1997.129467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.129467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.129467 (E_RNA) where: Base-Base interactions energy: -1392.487 where: short stacking energy: -600.132 Base-Backbone interact. energy: -1.234 local terms energy: -603.407610 where: bonds (distance) C4'-P energy: -102.362 bonds (distance) P-C4' energy: -117.463 flat angles C4'-P-C4' energy: -123.261 flat angles P-C4'-P energy: -88.348 tors. eta vs tors. theta energy: -171.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1922.593918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.593918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.593918 (E_RNA) where: Base-Base interactions energy: -1321.435 where: short stacking energy: -543.578 Base-Backbone interact. energy: -1.948 local terms energy: -599.210622 where: bonds (distance) C4'-P energy: -116.594 bonds (distance) P-C4' energy: -117.046 flat angles C4'-P-C4' energy: -116.580 flat angles P-C4'-P energy: -87.732 tors. eta vs tors. theta energy: -161.259 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: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1835.158809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.158809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.158809 (E_RNA) where: Base-Base interactions energy: -1278.826 where: short stacking energy: -528.090 Base-Backbone interact. energy: 0.069 local terms energy: -556.401895 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -115.189 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -150.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1737.043215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.043215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.043215 (E_RNA) where: Base-Base interactions energy: -1193.067 where: short stacking energy: -513.520 Base-Backbone interact. energy: -3.535 local terms energy: -540.440712 where: bonds (distance) C4'-P energy: -91.024 bonds (distance) P-C4' energy: -109.413 flat angles C4'-P-C4' energy: -132.204 flat angles P-C4'-P energy: -66.253 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: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1499.126819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.126819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.126819 (E_RNA) where: Base-Base interactions energy: -986.416 where: short stacking energy: -410.367 Base-Backbone interact. energy: -1.713 local terms energy: -510.997444 where: bonds (distance) C4'-P energy: -108.998 bonds (distance) P-C4' energy: -100.883 flat angles C4'-P-C4' energy: -118.829 flat angles P-C4'-P energy: -70.455 tors. eta vs tors. theta energy: -111.833 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: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1211.532020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.532020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.532020 (E_RNA) where: Base-Base interactions energy: -774.208 where: short stacking energy: -363.387 Base-Backbone interact. energy: -0.784 local terms energy: -436.539972 where: bonds (distance) C4'-P energy: -89.835 bonds (distance) P-C4' energy: -104.785 flat angles C4'-P-C4' energy: -87.059 flat angles P-C4'-P energy: -68.881 tors. eta vs tors. theta energy: -85.981 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: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -990.378673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.378673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.378673 (E_RNA) where: Base-Base interactions energy: -592.901 where: short stacking energy: -280.409 Base-Backbone interact. energy: -2.916 local terms energy: -394.562369 where: bonds (distance) C4'-P energy: -108.340 bonds (distance) P-C4' energy: -91.285 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -35.234 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: 9, replica: 6 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -612.987649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.987649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.987649 (E_RNA) where: Base-Base interactions energy: -290.018 where: short stacking energy: -163.194 Base-Backbone interact. energy: -4.723 local terms energy: -318.247410 where: bonds (distance) C4'-P energy: -91.256 bonds (distance) P-C4' energy: -86.834 flat angles C4'-P-C4' energy: -84.982 flat angles P-C4'-P energy: -56.418 tors. eta vs tors. theta energy: 1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -448.659847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.659847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.659847 (E_RNA) where: Base-Base interactions energy: -133.271 where: short stacking energy: -65.459 Base-Backbone interact. energy: 6.366 local terms energy: -321.754823 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -103.392 flat angles C4'-P-C4' energy: -81.848 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: 35.593 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: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2089.106235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.106235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.106235 (E_RNA) where: Base-Base interactions energy: -1437.027 where: short stacking energy: -620.955 Base-Backbone interact. energy: -3.822 local terms energy: -648.257339 where: bonds (distance) C4'-P energy: -116.414 bonds (distance) P-C4' energy: -122.269 flat angles C4'-P-C4' energy: -133.271 flat angles P-C4'-P energy: -89.234 tors. eta vs tors. theta energy: -187.071 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: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2050.535215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.535215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.535215 (E_RNA) where: Base-Base interactions energy: -1418.311 where: short stacking energy: -603.638 Base-Backbone interact. energy: -2.508 local terms energy: -629.716194 where: bonds (distance) C4'-P energy: -102.032 bonds (distance) P-C4' energy: -104.395 flat angles C4'-P-C4' energy: -139.505 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -183.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1939.895668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.895668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.895668 (E_RNA) where: Base-Base interactions energy: -1339.783 where: short stacking energy: -561.963 Base-Backbone interact. energy: -0.805 local terms energy: -599.307906 where: bonds (distance) C4'-P energy: -109.319 bonds (distance) P-C4' energy: -121.038 flat angles C4'-P-C4' energy: -138.879 flat angles P-C4'-P energy: -72.007 tors. eta vs tors. theta energy: -158.065 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: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1835.252236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.252236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.252236 (E_RNA) where: Base-Base interactions energy: -1273.507 where: short stacking energy: -530.638 Base-Backbone interact. energy: 0.186 local terms energy: -561.931700 where: bonds (distance) C4'-P energy: -92.760 bonds (distance) P-C4' energy: -111.140 flat angles C4'-P-C4' energy: -129.650 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -144.731 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: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1716.522301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.522301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.522301 (E_RNA) where: Base-Base interactions energy: -1180.313 where: short stacking energy: -502.969 Base-Backbone interact. energy: -2.312 local terms energy: -533.897332 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -103.057 flat angles C4'-P-C4' energy: -122.727 flat angles P-C4'-P energy: -66.037 tors. eta vs tors. theta energy: -141.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1535.242675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.242675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.242675 (E_RNA) where: Base-Base interactions energy: -1015.932 where: short stacking energy: -442.867 Base-Backbone interact. energy: -2.702 local terms energy: -516.608620 where: bonds (distance) C4'-P energy: -107.701 bonds (distance) P-C4' energy: -106.927 flat angles C4'-P-C4' energy: -116.804 flat angles P-C4'-P energy: -74.050 tors. eta vs tors. theta energy: -111.126 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: 198 Temperature: 1.200000 Total energy: -1196.316515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.316515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.316515 (E_RNA) where: Base-Base interactions energy: -745.353 where: short stacking energy: -370.638 Base-Backbone interact. energy: 2.539 local terms energy: -453.502059 where: bonds (distance) C4'-P energy: -99.894 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -78.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -992.142342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.142342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.142342 (E_RNA) where: Base-Base interactions energy: -599.999 where: short stacking energy: -272.010 Base-Backbone interact. energy: -3.231 local terms energy: -388.912493 where: bonds (distance) C4'-P energy: -103.492 bonds (distance) P-C4' energy: -91.996 flat angles C4'-P-C4' energy: -102.110 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -38.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -603.719856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.719856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.719856 (E_RNA) where: Base-Base interactions energy: -282.463 where: short stacking energy: -149.178 Base-Backbone interact. energy: -0.346 local terms energy: -320.910382 where: bonds (distance) C4'-P energy: -78.079 bonds (distance) P-C4' energy: -104.346 flat angles C4'-P-C4' energy: -102.424 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: 17.999 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: 198 Temperature: 1.350000 Total energy: -479.665878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.665878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.665878 (E_RNA) where: Base-Base interactions energy: -188.224 where: short stacking energy: -130.148 Base-Backbone interact. energy: 2.013 local terms energy: -293.455261 where: bonds (distance) C4'-P energy: -99.299 bonds (distance) P-C4' energy: -89.855 flat angles C4'-P-C4' energy: -74.802 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: 31.228 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: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2087.189238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.189238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.189238 (E_RNA) where: Base-Base interactions energy: -1440.789 where: short stacking energy: -612.769 Base-Backbone interact. energy: -3.569 local terms energy: -642.831296 where: bonds (distance) C4'-P energy: -112.613 bonds (distance) P-C4' energy: -117.699 flat angles C4'-P-C4' energy: -133.243 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -192.719 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: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1978.326510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.326510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.326510 (E_RNA) where: Base-Base interactions energy: -1355.964 where: short stacking energy: -580.017 Base-Backbone interact. energy: -0.514 local terms energy: -621.848962 where: bonds (distance) C4'-P energy: -113.257 bonds (distance) P-C4' energy: -123.705 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -91.814 tors. eta vs tors. theta energy: -156.303 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: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1962.857366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.857366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.857366 (E_RNA) where: Base-Base interactions energy: -1354.285 where: short stacking energy: -580.468 Base-Backbone interact. energy: 1.803 local terms energy: -610.375242 where: bonds (distance) C4'-P energy: -112.534 bonds (distance) P-C4' energy: -118.981 flat angles C4'-P-C4' energy: -124.568 flat angles P-C4'-P energy: -93.550 tors. eta vs tors. theta energy: -160.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1868.937012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.937012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.937012 (E_RNA) where: Base-Base interactions energy: -1284.617 where: short stacking energy: -547.755 Base-Backbone interact. energy: 1.315 local terms energy: -585.634840 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -103.682 flat angles C4'-P-C4' energy: -127.689 flat angles P-C4'-P energy: -80.015 tors. eta vs tors. theta energy: -172.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1686.804249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.804249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.804249 (E_RNA) where: Base-Base interactions energy: -1143.890 where: short stacking energy: -477.251 Base-Backbone interact. energy: -0.342 local terms energy: -542.572037 where: bonds (distance) C4'-P energy: -91.435 bonds (distance) P-C4' energy: -116.827 flat angles C4'-P-C4' energy: -107.129 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -133.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1534.797222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.797222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.797222 (E_RNA) where: Base-Base interactions energy: -1027.097 where: short stacking energy: -422.989 Base-Backbone interact. energy: 0.470 local terms energy: -508.170064 where: bonds (distance) C4'-P energy: -105.215 bonds (distance) P-C4' energy: -96.539 flat angles C4'-P-C4' energy: -108.638 flat angles P-C4'-P energy: -76.084 tors. eta vs tors. theta energy: -121.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1179.874918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.874918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.874918 (E_RNA) where: Base-Base interactions energy: -749.042 where: short stacking energy: -358.333 Base-Backbone interact. energy: -1.141 local terms energy: -429.691270 where: bonds (distance) C4'-P energy: -86.725 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -95.765 flat angles P-C4'-P energy: -75.811 tors. eta vs tors. theta energy: -81.264 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: 5 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1009.633531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.633531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.633531 (E_RNA) where: Base-Base interactions energy: -595.503 where: short stacking energy: -274.216 Base-Backbone interact. energy: -2.956 local terms energy: -411.173951 where: bonds (distance) C4'-P energy: -100.583 bonds (distance) P-C4' energy: -103.398 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -50.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -607.311479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.311479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.311479 (E_RNA) where: Base-Base interactions energy: -269.079 where: short stacking energy: -127.941 Base-Backbone interact. energy: -0.552 local terms energy: -337.679967 where: bonds (distance) C4'-P energy: -87.337 bonds (distance) P-C4' energy: -102.453 flat angles C4'-P-C4' energy: -100.251 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: 19.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -528.825896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.825896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.825896 (E_RNA) where: Base-Base interactions energy: -230.665 where: short stacking energy: -140.806 Base-Backbone interact. energy: 0.722 local terms energy: -298.882824 where: bonds (distance) C4'-P energy: -96.384 bonds (distance) P-C4' energy: -93.922 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -53.395 tors. eta vs tors. theta energy: 21.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2109.137497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.137497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.137497 (E_RNA) where: Base-Base interactions energy: -1458.004 where: short stacking energy: -634.104 Base-Backbone interact. energy: -2.027 local terms energy: -649.106818 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -119.385 flat angles C4'-P-C4' energy: -146.956 flat angles P-C4'-P energy: -92.332 tors. eta vs tors. theta energy: -190.431 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: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1997.216223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.216223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.216223 (E_RNA) where: Base-Base interactions energy: -1383.485 where: short stacking energy: -580.414 Base-Backbone interact. energy: -0.839 local terms energy: -612.892411 where: bonds (distance) C4'-P energy: -114.895 bonds (distance) P-C4' energy: -110.526 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -84.251 tors. eta vs tors. theta energy: -166.110 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: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2001.680499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.680499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.680499 (E_RNA) where: Base-Base interactions energy: -1382.697 where: short stacking energy: -586.491 Base-Backbone interact. energy: -3.227 local terms energy: -615.755576 where: bonds (distance) C4'-P energy: -110.616 bonds (distance) P-C4' energy: -116.053 flat angles C4'-P-C4' energy: -134.073 flat angles P-C4'-P energy: -86.002 tors. eta vs tors. theta energy: -169.011 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: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1855.093764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.093764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.093764 (E_RNA) where: Base-Base interactions energy: -1261.905 where: short stacking energy: -501.335 Base-Backbone interact. energy: -2.366 local terms energy: -590.822490 where: bonds (distance) C4'-P energy: -113.544 bonds (distance) P-C4' energy: -102.172 flat angles C4'-P-C4' energy: -130.567 flat angles P-C4'-P energy: -90.257 tors. eta vs tors. theta energy: -154.282 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: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1743.442009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.442009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.442009 (E_RNA) where: Base-Base interactions energy: -1193.908 where: short stacking energy: -514.322 Base-Backbone interact. energy: -2.907 local terms energy: -546.626721 where: bonds (distance) C4'-P energy: -107.666 bonds (distance) P-C4' energy: -111.475 flat angles C4'-P-C4' energy: -117.415 flat angles P-C4'-P energy: -76.750 tors. eta vs tors. theta energy: -133.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1476.557653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.557653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.557653 (E_RNA) where: Base-Base interactions energy: -978.091 where: short stacking energy: -400.011 Base-Backbone interact. energy: 0.849 local terms energy: -499.315758 where: bonds (distance) C4'-P energy: -80.431 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -116.575 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: -104.699 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: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1203.415264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.415264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.415264 (E_RNA) where: Base-Base interactions energy: -753.147 where: short stacking energy: -348.059 Base-Backbone interact. energy: -2.024 local terms energy: -448.244683 where: bonds (distance) C4'-P energy: -103.890 bonds (distance) P-C4' energy: -114.173 flat angles C4'-P-C4' energy: -102.847 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -66.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -976.045735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.045735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.045735 (E_RNA) where: Base-Base interactions energy: -555.780 where: short stacking energy: -266.716 Base-Backbone interact. energy: 5.426 local terms energy: -425.692009 where: bonds (distance) C4'-P energy: -86.948 bonds (distance) P-C4' energy: -101.881 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -80.075 tors. eta vs tors. theta energy: -47.996 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: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -527.569748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.569748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.569748 (E_RNA) where: Base-Base interactions energy: -225.837 where: short stacking energy: -159.488 Base-Backbone interact. energy: -0.335 local terms energy: -301.397087 where: bonds (distance) C4'-P energy: -89.750 bonds (distance) P-C4' energy: -89.617 flat angles C4'-P-C4' energy: -84.484 flat angles P-C4'-P energy: -51.830 tors. eta vs tors. theta energy: 14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -583.907544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.907544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.907544 (E_RNA) where: Base-Base interactions energy: -286.095 where: short stacking energy: -164.919 Base-Backbone interact. energy: 0.360 local terms energy: -298.172524 where: bonds (distance) C4'-P energy: -82.557 bonds (distance) P-C4' energy: -111.252 flat angles C4'-P-C4' energy: -74.983 flat angles P-C4'-P energy: -41.322 tors. eta vs tors. theta energy: 11.942 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: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2081.138644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.138644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.138644 (E_RNA) where: Base-Base interactions energy: -1419.723 where: short stacking energy: -627.797 Base-Backbone interact. energy: -4.245 local terms energy: -657.170876 where: bonds (distance) C4'-P energy: -116.843 bonds (distance) P-C4' energy: -129.112 flat angles C4'-P-C4' energy: -140.827 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -181.827 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: 201 Temperature: 0.950000 Total energy: -2055.165074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.165074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.165074 (E_RNA) where: Base-Base interactions energy: -1417.927 where: short stacking energy: -576.561 Base-Backbone interact. energy: -2.899 local terms energy: -634.339589 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -117.071 flat angles C4'-P-C4' energy: -134.025 flat angles P-C4'-P energy: -94.438 tors. eta vs tors. theta energy: -158.779 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: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1926.396189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.396189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.396189 (E_RNA) where: Base-Base interactions energy: -1326.381 where: short stacking energy: -564.644 Base-Backbone interact. energy: -4.249 local terms energy: -595.766277 where: bonds (distance) C4'-P energy: -111.818 bonds (distance) P-C4' energy: -113.410 flat angles C4'-P-C4' energy: -128.276 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -154.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1847.375813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.375813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.375813 (E_RNA) where: Base-Base interactions energy: -1268.946 where: short stacking energy: -502.145 Base-Backbone interact. energy: 0.323 local terms energy: -578.752578 where: bonds (distance) C4'-P energy: -101.265 bonds (distance) P-C4' energy: -127.286 flat angles C4'-P-C4' energy: -119.057 flat angles P-C4'-P energy: -91.114 tors. eta vs tors. theta energy: -140.031 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: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1680.679372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.679372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.679372 (E_RNA) where: Base-Base interactions energy: -1193.215 where: short stacking energy: -485.984 Base-Backbone interact. energy: -0.491 local terms energy: -486.973724 where: bonds (distance) C4'-P energy: -81.976 bonds (distance) P-C4' energy: -82.897 flat angles C4'-P-C4' energy: -128.296 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -123.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1438.120140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.120140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.120140 (E_RNA) where: Base-Base interactions energy: -945.210 where: short stacking energy: -416.150 Base-Backbone interact. energy: -1.533 local terms energy: -491.377359 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -89.556 flat angles C4'-P-C4' energy: -119.311 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -111.928 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: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1230.107383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.107383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.107383 (E_RNA) where: Base-Base interactions energy: -789.416 where: short stacking energy: -358.169 Base-Backbone interact. energy: -0.783 local terms energy: -439.908423 where: bonds (distance) C4'-P energy: -97.241 bonds (distance) P-C4' energy: -94.638 flat angles C4'-P-C4' energy: -105.437 flat angles P-C4'-P energy: -71.426 tors. eta vs tors. theta energy: -71.167 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: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1005.155634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.155634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.155634 (E_RNA) where: Base-Base interactions energy: -578.146 where: short stacking energy: -297.401 Base-Backbone interact. energy: -3.123 local terms energy: -423.885807 where: bonds (distance) C4'-P energy: -104.579 bonds (distance) P-C4' energy: -90.299 flat angles C4'-P-C4' energy: -91.963 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -70.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -570.583819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.583819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.583819 (E_RNA) where: Base-Base interactions energy: -228.016 where: short stacking energy: -145.303 Base-Backbone interact. energy: -0.380 local terms energy: -342.188390 where: bonds (distance) C4'-P energy: -90.772 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: 6.631 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: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -581.594463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.594463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.594463 (E_RNA) where: Base-Base interactions energy: -269.046 where: short stacking energy: -144.447 Base-Backbone interact. energy: 2.520 local terms energy: -315.069039 where: bonds (distance) C4'-P energy: -103.110 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -81.037 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: 13.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2079.107721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.107721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.107721 (E_RNA) where: Base-Base interactions energy: -1439.250 where: short stacking energy: -587.918 Base-Backbone interact. energy: -2.782 local terms energy: -637.076553 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -112.180 flat angles C4'-P-C4' energy: -138.535 flat angles P-C4'-P energy: -97.731 tors. eta vs tors. theta energy: -172.324 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2065.302498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.302498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.302498 (E_RNA) where: Base-Base interactions energy: -1427.384 where: short stacking energy: -613.105 Base-Backbone interact. energy: -3.086 local terms energy: -634.832148 where: bonds (distance) C4'-P energy: -122.917 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -126.666 flat angles P-C4'-P energy: -91.375 tors. eta vs tors. theta energy: -183.305 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: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1915.050743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.050743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.050743 (E_RNA) where: Base-Base interactions energy: -1329.778 where: short stacking energy: -542.826 Base-Backbone interact. energy: -2.837 local terms energy: -582.436398 where: bonds (distance) C4'-P energy: -104.320 bonds (distance) P-C4' energy: -100.464 flat angles C4'-P-C4' energy: -133.695 flat angles P-C4'-P energy: -89.955 tors. eta vs tors. theta energy: -154.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1811.190614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.190614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.190614 (E_RNA) where: Base-Base interactions energy: -1243.499 where: short stacking energy: -523.065 Base-Backbone interact. energy: -0.481 local terms energy: -567.210167 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -121.188 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -162.339 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: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1682.131456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.131456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.131456 (E_RNA) where: Base-Base interactions energy: -1155.707 where: short stacking energy: -495.663 Base-Backbone interact. energy: 3.764 local terms energy: -530.187891 where: bonds (distance) C4'-P energy: -105.023 bonds (distance) P-C4' energy: -113.791 flat angles C4'-P-C4' energy: -106.191 flat angles P-C4'-P energy: -71.615 tors. eta vs tors. theta energy: -133.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1479.120058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.120058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.120058 (E_RNA) where: Base-Base interactions energy: -985.365 where: short stacking energy: -418.621 Base-Backbone interact. energy: -1.799 local terms energy: -491.956574 where: bonds (distance) C4'-P energy: -94.323 bonds (distance) P-C4' energy: -112.847 flat angles C4'-P-C4' energy: -115.613 flat angles P-C4'-P energy: -61.149 tors. eta vs tors. theta energy: -108.024 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: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1159.109463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.109463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.109463 (E_RNA) where: Base-Base interactions energy: -718.076 where: short stacking energy: -335.156 Base-Backbone interact. energy: -1.578 local terms energy: -439.454693 where: bonds (distance) C4'-P energy: -107.489 bonds (distance) P-C4' energy: -99.156 flat angles C4'-P-C4' energy: -107.748 flat angles P-C4'-P energy: -65.435 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: 8, replica: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1021.752922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.752922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.752922 (E_RNA) where: Base-Base interactions energy: -599.964 where: short stacking energy: -287.995 Base-Backbone interact. energy: -3.853 local terms energy: -417.936340 where: bonds (distance) C4'-P energy: -99.822 bonds (distance) P-C4' energy: -111.957 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -61.776 tors. eta vs tors. theta energy: -46.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -570.581420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.581420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.581420 (E_RNA) where: Base-Base interactions energy: -264.976 where: short stacking energy: -179.112 Base-Backbone interact. energy: 9.124 local terms energy: -314.728845 where: bonds (distance) C4'-P energy: -92.924 bonds (distance) P-C4' energy: -107.722 flat angles C4'-P-C4' energy: -87.569 flat angles P-C4'-P energy: -25.930 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -462.928326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.928326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.928326 (E_RNA) where: Base-Base interactions energy: -179.264 where: short stacking energy: -118.555 Base-Backbone interact. energy: 0.442 local terms energy: -284.106963 where: bonds (distance) C4'-P energy: -88.918 bonds (distance) P-C4' energy: -104.598 flat angles C4'-P-C4' energy: -81.676 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: 37.579 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: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2084.316073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.316073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.316073 (E_RNA) where: Base-Base interactions energy: -1447.861 where: short stacking energy: -591.032 Base-Backbone interact. energy: 0.565 local terms energy: -637.020523 where: bonds (distance) C4'-P energy: -124.840 bonds (distance) P-C4' energy: -110.225 flat angles C4'-P-C4' energy: -134.702 flat angles P-C4'-P energy: -91.382 tors. eta vs tors. theta energy: -175.871 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: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2064.425400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.425400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.425400 (E_RNA) where: Base-Base interactions energy: -1408.826 where: short stacking energy: -613.865 Base-Backbone interact. energy: -1.572 local terms energy: -654.027022 where: bonds (distance) C4'-P energy: -122.942 bonds (distance) P-C4' energy: -118.326 flat angles C4'-P-C4' energy: -138.291 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -176.926 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1906.058742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.058742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.058742 (E_RNA) where: Base-Base interactions energy: -1299.773 where: short stacking energy: -552.548 Base-Backbone interact. energy: -5.432 local terms energy: -600.853434 where: bonds (distance) C4'-P energy: -118.142 bonds (distance) P-C4' energy: -112.691 flat angles C4'-P-C4' energy: -128.447 flat angles P-C4'-P energy: -76.909 tors. eta vs tors. theta energy: -164.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1808.329980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.329980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.329980 (E_RNA) where: Base-Base interactions energy: -1242.944 where: short stacking energy: -505.555 Base-Backbone interact. energy: 1.607 local terms energy: -566.993257 where: bonds (distance) C4'-P energy: -101.712 bonds (distance) P-C4' energy: -113.468 flat angles C4'-P-C4' energy: -120.573 flat angles P-C4'-P energy: -84.920 tors. eta vs tors. theta energy: -146.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1707.575011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.575011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.575011 (E_RNA) where: Base-Base interactions energy: -1146.557 where: short stacking energy: -484.314 Base-Backbone interact. energy: -2.150 local terms energy: -558.868306 where: bonds (distance) C4'-P energy: -107.227 bonds (distance) P-C4' energy: -110.964 flat angles C4'-P-C4' energy: -128.711 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -134.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1497.233236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.233236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.233236 (E_RNA) where: Base-Base interactions energy: -980.732 where: short stacking energy: -419.946 Base-Backbone interact. energy: -3.111 local terms energy: -513.390634 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -124.589 flat angles P-C4'-P energy: -70.587 tors. eta vs tors. theta energy: -99.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1231.817713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.817713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.817713 (E_RNA) where: Base-Base interactions energy: -735.404 where: short stacking energy: -365.472 Base-Backbone interact. energy: -0.491 local terms energy: -495.923110 where: bonds (distance) C4'-P energy: -109.481 bonds (distance) P-C4' energy: -113.264 flat angles C4'-P-C4' energy: -117.567 flat angles P-C4'-P energy: -80.193 tors. eta vs tors. theta energy: -75.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1034.858365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.858365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.858365 (E_RNA) where: Base-Base interactions energy: -624.467 where: short stacking energy: -306.818 Base-Backbone interact. energy: -0.104 local terms energy: -410.286916 where: bonds (distance) C4'-P energy: -103.032 bonds (distance) P-C4' energy: -91.118 flat angles C4'-P-C4' energy: -85.995 flat angles P-C4'-P energy: -62.238 tors. eta vs tors. theta energy: -67.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -575.507136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.507136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.507136 (E_RNA) where: Base-Base interactions energy: -268.121 where: short stacking energy: -163.273 Base-Backbone interact. energy: 3.312 local terms energy: -310.698740 where: bonds (distance) C4'-P energy: -91.313 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -79.229 flat angles P-C4'-P energy: -39.746 tors. eta vs tors. theta energy: 6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -465.395704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.395704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.395704 (E_RNA) where: Base-Base interactions energy: -164.388 where: short stacking energy: -137.265 Base-Backbone interact. energy: 1.164 local terms energy: -302.171825 where: bonds (distance) C4'-P energy: -89.091 bonds (distance) P-C4' energy: -96.205 flat angles C4'-P-C4' energy: -83.137 flat angles P-C4'-P energy: -39.183 tors. eta vs tors. theta energy: 5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2092.411325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.411325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.411325 (E_RNA) where: Base-Base interactions energy: -1458.275 where: short stacking energy: -631.389 Base-Backbone interact. energy: -3.204 local terms energy: -630.932293 where: bonds (distance) C4'-P energy: -121.036 bonds (distance) P-C4' energy: -107.427 flat angles C4'-P-C4' energy: -140.028 flat angles P-C4'-P energy: -88.741 tors. eta vs tors. theta energy: -173.701 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: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2057.299865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.299865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.299865 (E_RNA) where: Base-Base interactions energy: -1434.865 where: short stacking energy: -596.346 Base-Backbone interact. energy: -0.677 local terms energy: -621.758322 where: bonds (distance) C4'-P energy: -102.394 bonds (distance) P-C4' energy: -125.163 flat angles C4'-P-C4' energy: -131.386 flat angles P-C4'-P energy: -81.758 tors. eta vs tors. theta energy: -181.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1924.025747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.025747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.025747 (E_RNA) where: Base-Base interactions energy: -1323.139 where: short stacking energy: -578.380 Base-Backbone interact. energy: 0.641 local terms energy: -601.527566 where: bonds (distance) C4'-P energy: -111.944 bonds (distance) P-C4' energy: -116.728 flat angles C4'-P-C4' energy: -126.795 flat angles P-C4'-P energy: -88.158 tors. eta vs tors. theta energy: -157.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1807.165933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.165933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.165933 (E_RNA) where: Base-Base interactions energy: -1235.818 where: short stacking energy: -520.690 Base-Backbone interact. energy: -3.870 local terms energy: -567.478165 where: bonds (distance) C4'-P energy: -101.207 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -136.094 flat angles P-C4'-P energy: -73.080 tors. eta vs tors. theta energy: -157.751 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: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1706.023748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.023748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.023748 (E_RNA) where: Base-Base interactions energy: -1160.439 where: short stacking energy: -492.580 Base-Backbone interact. energy: 4.303 local terms energy: -549.887606 where: bonds (distance) C4'-P energy: -105.413 bonds (distance) P-C4' energy: -100.863 flat angles C4'-P-C4' energy: -119.693 flat angles P-C4'-P energy: -85.843 tors. eta vs tors. theta energy: -138.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1444.955828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.955828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.955828 (E_RNA) where: Base-Base interactions energy: -952.504 where: short stacking energy: -424.085 Base-Backbone interact. energy: -2.792 local terms energy: -489.659630 where: bonds (distance) C4'-P energy: -88.059 bonds (distance) P-C4' energy: -99.039 flat angles C4'-P-C4' energy: -115.954 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -111.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1209.315400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.315400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.315400 (E_RNA) where: Base-Base interactions energy: -749.161 where: short stacking energy: -357.546 Base-Backbone interact. energy: -3.318 local terms energy: -456.835684 where: bonds (distance) C4'-P energy: -90.991 bonds (distance) P-C4' energy: -112.321 flat angles C4'-P-C4' energy: -103.475 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -83.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1032.189388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.189388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.189388 (E_RNA) where: Base-Base interactions energy: -616.528 where: short stacking energy: -303.343 Base-Backbone interact. energy: -1.887 local terms energy: -413.774361 where: bonds (distance) C4'-P energy: -100.848 bonds (distance) P-C4' energy: -99.672 flat angles C4'-P-C4' energy: -106.347 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -57.861 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: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -509.668137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.668137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.668137 (E_RNA) where: Base-Base interactions energy: -198.533 where: short stacking energy: -186.623 Base-Backbone interact. energy: -1.010 local terms energy: -310.125131 where: bonds (distance) C4'-P energy: -84.578 bonds (distance) P-C4' energy: -98.129 flat angles C4'-P-C4' energy: -81.797 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: 15.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -488.095806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.095806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.095806 (E_RNA) where: Base-Base interactions energy: -183.179 where: short stacking energy: -147.198 Base-Backbone interact. energy: 5.049 local terms energy: -309.965518 where: bonds (distance) C4'-P energy: -97.445 bonds (distance) P-C4' energy: -87.623 flat angles C4'-P-C4' energy: -77.811 flat angles P-C4'-P energy: -54.908 tors. eta vs tors. theta energy: 7.821 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: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2073.081232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.081232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.081232 (E_RNA) where: Base-Base interactions energy: -1442.440 where: short stacking energy: -616.208 Base-Backbone interact. energy: -0.378 local terms energy: -630.263820 where: bonds (distance) C4'-P energy: -104.384 bonds (distance) P-C4' energy: -123.017 flat angles C4'-P-C4' energy: -131.398 flat angles P-C4'-P energy: -90.169 tors. eta vs tors. theta energy: -181.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2038.526165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.526165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.526165 (E_RNA) where: Base-Base interactions energy: -1425.934 where: short stacking energy: -593.223 Base-Backbone interact. energy: -1.616 local terms energy: -610.976582 where: bonds (distance) C4'-P energy: -103.966 bonds (distance) P-C4' energy: -123.641 flat angles C4'-P-C4' energy: -129.404 flat angles P-C4'-P energy: -78.153 tors. eta vs tors. theta energy: -175.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1928.072191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.072191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.072191 (E_RNA) where: Base-Base interactions energy: -1329.982 where: short stacking energy: -578.740 Base-Backbone interact. energy: -2.954 local terms energy: -595.137065 where: bonds (distance) C4'-P energy: -109.516 bonds (distance) P-C4' energy: -104.221 flat angles C4'-P-C4' energy: -123.731 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -165.299 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: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1853.556906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.556906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.556906 (E_RNA) where: Base-Base interactions energy: -1276.827 where: short stacking energy: -535.790 Base-Backbone interact. energy: 3.410 local terms energy: -580.140528 where: bonds (distance) C4'-P energy: -99.806 bonds (distance) P-C4' energy: -110.149 flat angles C4'-P-C4' energy: -129.181 flat angles P-C4'-P energy: -85.201 tors. eta vs tors. theta energy: -155.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1714.668055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.668055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.668055 (E_RNA) where: Base-Base interactions energy: -1190.497 where: short stacking energy: -484.748 Base-Backbone interact. energy: -1.732 local terms energy: -522.439297 where: bonds (distance) C4'-P energy: -88.375 bonds (distance) P-C4' energy: -96.351 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -127.756 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: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1522.723432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.723432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.723432 (E_RNA) where: Base-Base interactions energy: -1037.603 where: short stacking energy: -423.384 Base-Backbone interact. energy: -0.062 local terms energy: -485.059011 where: bonds (distance) C4'-P energy: -80.322 bonds (distance) P-C4' energy: -111.035 flat angles C4'-P-C4' energy: -109.026 flat angles P-C4'-P energy: -72.165 tors. eta vs tors. theta energy: -112.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1230.553546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.553546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.553546 (E_RNA) where: Base-Base interactions energy: -795.448 where: short stacking energy: -346.503 Base-Backbone interact. energy: -2.994 local terms energy: -432.111050 where: bonds (distance) C4'-P energy: -85.096 bonds (distance) P-C4' energy: -100.829 flat angles C4'-P-C4' energy: -108.244 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -69.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1077.713506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.713506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.713506 (E_RNA) where: Base-Base interactions energy: -642.071 where: short stacking energy: -305.091 Base-Backbone interact. energy: 0.771 local terms energy: -436.413681 where: bonds (distance) C4'-P energy: -113.464 bonds (distance) P-C4' energy: -89.444 flat angles C4'-P-C4' energy: -102.910 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: -53.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -533.777093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.777093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.777093 (E_RNA) where: Base-Base interactions energy: -189.820 where: short stacking energy: -148.526 Base-Backbone interact. energy: 0.639 local terms energy: -344.595439 where: bonds (distance) C4'-P energy: -96.469 bonds (distance) P-C4' energy: -102.908 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -63.457 tors. eta vs tors. theta energy: 12.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -461.721253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.721253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.721253 (E_RNA) where: Base-Base interactions energy: -171.559 where: short stacking energy: -147.785 Base-Backbone interact. energy: -1.756 local terms energy: -288.406751 where: bonds (distance) C4'-P energy: -78.290 bonds (distance) P-C4' energy: -91.856 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: 18.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2089.553139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.553139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.553139 (E_RNA) where: Base-Base interactions energy: -1423.539 where: short stacking energy: -603.344 Base-Backbone interact. energy: 0.345 local terms energy: -666.359505 where: bonds (distance) C4'-P energy: -133.860 bonds (distance) P-C4' energy: -120.767 flat angles C4'-P-C4' energy: -135.201 flat angles P-C4'-P energy: -96.088 tors. eta vs tors. theta energy: -180.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2057.139776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.139776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.139776 (E_RNA) where: Base-Base interactions energy: -1419.807 where: short stacking energy: -593.123 Base-Backbone interact. energy: -3.079 local terms energy: -634.253695 where: bonds (distance) C4'-P energy: -115.295 bonds (distance) P-C4' energy: -127.804 flat angles C4'-P-C4' energy: -135.085 flat angles P-C4'-P energy: -71.531 tors. eta vs tors. theta energy: -184.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1966.179734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.179734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.179734 (E_RNA) where: Base-Base interactions energy: -1352.584 where: short stacking energy: -584.049 Base-Backbone interact. energy: 3.534 local terms energy: -617.129089 where: bonds (distance) C4'-P energy: -113.148 bonds (distance) P-C4' energy: -109.667 flat angles C4'-P-C4' energy: -138.272 flat angles P-C4'-P energy: -89.577 tors. eta vs tors. theta energy: -166.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1819.551499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.551499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.551499 (E_RNA) where: Base-Base interactions energy: -1259.387 where: short stacking energy: -531.837 Base-Backbone interact. energy: 2.707 local terms energy: -562.872451 where: bonds (distance) C4'-P energy: -107.212 bonds (distance) P-C4' energy: -101.474 flat angles C4'-P-C4' energy: -125.147 flat angles P-C4'-P energy: -81.841 tors. eta vs tors. theta energy: -147.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1750.340857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.340857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.340857 (E_RNA) where: Base-Base interactions energy: -1177.846 where: short stacking energy: -493.277 Base-Backbone interact. energy: -1.830 local terms energy: -570.664685 where: bonds (distance) C4'-P energy: -101.403 bonds (distance) P-C4' energy: -97.059 flat angles C4'-P-C4' energy: -135.615 flat angles P-C4'-P energy: -85.491 tors. eta vs tors. theta energy: -151.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1512.495427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.495427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.495427 (E_RNA) where: Base-Base interactions energy: -1020.356 where: short stacking energy: -435.644 Base-Backbone interact. energy: -1.644 local terms energy: -490.495378 where: bonds (distance) C4'-P energy: -91.279 bonds (distance) P-C4' energy: -96.088 flat angles C4'-P-C4' energy: -121.227 flat angles P-C4'-P energy: -67.990 tors. eta vs tors. theta energy: -113.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1258.938931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.938931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.938931 (E_RNA) where: Base-Base interactions energy: -807.830 where: short stacking energy: -383.992 Base-Backbone interact. energy: 1.302 local terms energy: -452.411571 where: bonds (distance) C4'-P energy: -81.143 bonds (distance) P-C4' energy: -123.974 flat angles C4'-P-C4' energy: -112.086 flat angles P-C4'-P energy: -52.726 tors. eta vs tors. theta energy: -82.481 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: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1106.805485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.805485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.805485 (E_RNA) where: Base-Base interactions energy: -695.493 where: short stacking energy: -341.139 Base-Backbone interact. energy: -2.532 local terms energy: -408.780063 where: bonds (distance) C4'-P energy: -85.741 bonds (distance) P-C4' energy: -97.284 flat angles C4'-P-C4' energy: -92.689 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -73.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -498.673319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.673319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.673319 (E_RNA) where: Base-Base interactions energy: -182.238 where: short stacking energy: -144.314 Base-Backbone interact. energy: 0.157 local terms energy: -316.592211 where: bonds (distance) C4'-P energy: -89.596 bonds (distance) P-C4' energy: -96.351 flat angles C4'-P-C4' energy: -95.409 flat angles P-C4'-P energy: -54.682 tors. eta vs tors. theta energy: 19.446 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: 206 Temperature: 1.350000 Total energy: -496.728254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.728254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.728254 (E_RNA) where: Base-Base interactions energy: -203.164 where: short stacking energy: -156.667 Base-Backbone interact. energy: 1.314 local terms energy: -294.877848 where: bonds (distance) C4'-P energy: -88.302 bonds (distance) P-C4' energy: -104.775 flat angles C4'-P-C4' energy: -78.393 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: 14.122 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: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2125.360646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.360646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.360646 (E_RNA) where: Base-Base interactions energy: -1486.780 where: short stacking energy: -604.716 Base-Backbone interact. energy: -1.643 local terms energy: -636.937519 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -128.589 flat angles C4'-P-C4' energy: -136.135 flat angles P-C4'-P energy: -86.137 tors. eta vs tors. theta energy: -172.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2055.365092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.365092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.365092 (E_RNA) where: Base-Base interactions energy: -1435.081 where: short stacking energy: -591.315 Base-Backbone interact. energy: -0.191 local terms energy: -620.093380 where: bonds (distance) C4'-P energy: -115.002 bonds (distance) P-C4' energy: -108.715 flat angles C4'-P-C4' energy: -136.871 flat angles P-C4'-P energy: -76.529 tors. eta vs tors. theta energy: -182.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1930.816109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.816109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.816109 (E_RNA) where: Base-Base interactions energy: -1324.146 where: short stacking energy: -560.710 Base-Backbone interact. energy: -0.420 local terms energy: -606.250105 where: bonds (distance) C4'-P energy: -104.213 bonds (distance) P-C4' energy: -118.302 flat angles C4'-P-C4' energy: -128.022 flat angles P-C4'-P energy: -91.658 tors. eta vs tors. theta energy: -164.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1849.084535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.084535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.084535 (E_RNA) where: Base-Base interactions energy: -1270.315 where: short stacking energy: -531.142 Base-Backbone interact. energy: -4.287 local terms energy: -574.483035 where: bonds (distance) C4'-P energy: -105.797 bonds (distance) P-C4' energy: -105.811 flat angles C4'-P-C4' energy: -122.817 flat angles P-C4'-P energy: -74.658 tors. eta vs tors. theta energy: -165.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1703.135467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.135467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.135467 (E_RNA) where: Base-Base interactions energy: -1178.994 where: short stacking energy: -497.219 Base-Backbone interact. energy: -3.162 local terms energy: -520.978887 where: bonds (distance) C4'-P energy: -87.721 bonds (distance) P-C4' energy: -102.855 flat angles C4'-P-C4' energy: -122.075 flat angles P-C4'-P energy: -67.327 tors. eta vs tors. theta energy: -141.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1502.288131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.288131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.288131 (E_RNA) where: Base-Base interactions energy: -1021.999 where: short stacking energy: -411.716 Base-Backbone interact. energy: -4.974 local terms energy: -475.314457 where: bonds (distance) C4'-P energy: -115.228 bonds (distance) P-C4' energy: -87.597 flat angles C4'-P-C4' energy: -99.314 flat angles P-C4'-P energy: -60.477 tors. eta vs tors. theta energy: -112.699 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: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1226.912221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.912221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.912221 (E_RNA) where: Base-Base interactions energy: -777.137 where: short stacking energy: -365.473 Base-Backbone interact. energy: -0.896 local terms energy: -448.879030 where: bonds (distance) C4'-P energy: -104.639 bonds (distance) P-C4' energy: -103.666 flat angles C4'-P-C4' energy: -113.927 flat angles P-C4'-P energy: -63.130 tors. eta vs tors. theta energy: -63.518 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: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1134.430591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.430591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.430591 (E_RNA) where: Base-Base interactions energy: -705.868 where: short stacking energy: -330.774 Base-Backbone interact. energy: -1.637 local terms energy: -426.925760 where: bonds (distance) C4'-P energy: -87.379 bonds (distance) P-C4' energy: -106.677 flat angles C4'-P-C4' energy: -96.181 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -63.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -490.506219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.506219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.506219 (E_RNA) where: Base-Base interactions energy: -189.695 where: short stacking energy: -123.345 Base-Backbone interact. energy: 3.249 local terms energy: -304.059646 where: bonds (distance) C4'-P energy: -96.077 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -87.605 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: 29.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -464.327447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.327447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.327447 (E_RNA) where: Base-Base interactions energy: -156.600 where: short stacking energy: -133.833 Base-Backbone interact. energy: -1.291 local terms energy: -306.436088 where: bonds (distance) C4'-P energy: -85.793 bonds (distance) P-C4' energy: -95.392 flat angles C4'-P-C4' energy: -102.184 flat angles P-C4'-P energy: -32.364 tors. eta vs tors. theta energy: 9.297 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: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2116.862078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.862078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.862078 (E_RNA) where: Base-Base interactions energy: -1486.397 where: short stacking energy: -627.101 Base-Backbone interact. energy: -4.690 local terms energy: -625.774910 where: bonds (distance) C4'-P energy: -109.409 bonds (distance) P-C4' energy: -115.408 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -172.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2037.600693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.600693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.600693 (E_RNA) where: Base-Base interactions energy: -1398.776 where: short stacking energy: -574.172 Base-Backbone interact. energy: -0.961 local terms energy: -637.864039 where: bonds (distance) C4'-P energy: -110.758 bonds (distance) P-C4' energy: -123.475 flat angles C4'-P-C4' energy: -135.607 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -177.584 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: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1945.795193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.795193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.795193 (E_RNA) where: Base-Base interactions energy: -1364.794 where: short stacking energy: -577.830 Base-Backbone interact. energy: 0.375 local terms energy: -581.376184 where: bonds (distance) C4'-P energy: -103.304 bonds (distance) P-C4' energy: -98.556 flat angles C4'-P-C4' energy: -135.969 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -167.603 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1832.876191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.876191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.876191 (E_RNA) where: Base-Base interactions energy: -1245.567 where: short stacking energy: -543.537 Base-Backbone interact. energy: -1.410 local terms energy: -585.899465 where: bonds (distance) C4'-P energy: -121.658 bonds (distance) P-C4' energy: -107.776 flat angles C4'-P-C4' energy: -122.417 flat angles P-C4'-P energy: -76.593 tors. eta vs tors. theta energy: -157.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1738.631782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.631782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.631782 (E_RNA) where: Base-Base interactions energy: -1178.540 where: short stacking energy: -514.787 Base-Backbone interact. energy: -2.388 local terms energy: -557.704055 where: bonds (distance) C4'-P energy: -106.917 bonds (distance) P-C4' energy: -122.295 flat angles C4'-P-C4' energy: -120.847 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -144.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1419.724735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.724735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.724735 (E_RNA) where: Base-Base interactions energy: -942.427 where: short stacking energy: -407.354 Base-Backbone interact. energy: -1.186 local terms energy: -476.112156 where: bonds (distance) C4'-P energy: -103.553 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -94.195 flat angles P-C4'-P energy: -66.681 tors. eta vs tors. theta energy: -95.953 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: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1220.838397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.838397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.838397 (E_RNA) where: Base-Base interactions energy: -788.812 where: short stacking energy: -342.729 Base-Backbone interact. energy: -1.063 local terms energy: -430.962775 where: bonds (distance) C4'-P energy: -98.460 bonds (distance) P-C4' energy: -101.308 flat angles C4'-P-C4' energy: -113.304 flat angles P-C4'-P energy: -64.924 tors. eta vs tors. theta energy: -52.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1063.402761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.402761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.402761 (E_RNA) where: Base-Base interactions energy: -644.984 where: short stacking energy: -314.076 Base-Backbone interact. energy: -0.292 local terms energy: -418.126565 where: bonds (distance) C4'-P energy: -92.557 bonds (distance) P-C4' energy: -107.778 flat angles C4'-P-C4' energy: -77.148 flat angles P-C4'-P energy: -81.930 tors. eta vs tors. theta energy: -58.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -597.863067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.863067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.863067 (E_RNA) where: Base-Base interactions energy: -267.096 where: short stacking energy: -162.905 Base-Backbone interact. energy: -1.086 local terms energy: -329.680856 where: bonds (distance) C4'-P energy: -97.882 bonds (distance) P-C4' energy: -89.389 flat angles C4'-P-C4' energy: -79.632 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -9.368 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: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -477.851562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.851562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.851562 (E_RNA) where: Base-Base interactions energy: -179.627 where: short stacking energy: -146.858 Base-Backbone interact. energy: -0.931 local terms energy: -297.294014 where: bonds (distance) C4'-P energy: -92.269 bonds (distance) P-C4' energy: -101.394 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: 23.932 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: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2113.463850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.463850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.463850 (E_RNA) where: Base-Base interactions energy: -1450.814 where: short stacking energy: -615.210 Base-Backbone interact. energy: -2.960 local terms energy: -659.690179 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -133.214 flat angles C4'-P-C4' energy: -127.844 flat angles P-C4'-P energy: -90.015 tors. eta vs tors. theta energy: -185.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2069.632974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.632974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.632974 (E_RNA) where: Base-Base interactions energy: -1445.081 where: short stacking energy: -596.379 Base-Backbone interact. energy: 0.169 local terms energy: -624.720949 where: bonds (distance) C4'-P energy: -112.739 bonds (distance) P-C4' energy: -121.794 flat angles C4'-P-C4' energy: -126.636 flat angles P-C4'-P energy: -93.369 tors. eta vs tors. theta energy: -170.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1957.225509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.225509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.225509 (E_RNA) where: Base-Base interactions energy: -1353.940 where: short stacking energy: -584.882 Base-Backbone interact. energy: -3.206 local terms energy: -600.079664 where: bonds (distance) C4'-P energy: -96.221 bonds (distance) P-C4' energy: -121.960 flat angles C4'-P-C4' energy: -126.995 flat angles P-C4'-P energy: -84.234 tors. eta vs tors. theta energy: -170.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1781.023164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.023164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.023164 (E_RNA) where: Base-Base interactions energy: -1208.451 where: short stacking energy: -505.785 Base-Backbone interact. energy: -2.801 local terms energy: -569.770759 where: bonds (distance) C4'-P energy: -99.778 bonds (distance) P-C4' energy: -111.815 flat angles C4'-P-C4' energy: -122.671 flat angles P-C4'-P energy: -86.769 tors. eta vs tors. theta energy: -148.737 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: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1754.795887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.795887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.795887 (E_RNA) where: Base-Base interactions energy: -1204.363 where: short stacking energy: -480.992 Base-Backbone interact. energy: 5.606 local terms energy: -556.038971 where: bonds (distance) C4'-P energy: -96.756 bonds (distance) P-C4' energy: -98.498 flat angles C4'-P-C4' energy: -131.824 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: -143.909 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: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1422.952522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.952522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.952522 (E_RNA) where: Base-Base interactions energy: -941.304 where: short stacking energy: -423.916 Base-Backbone interact. energy: -2.487 local terms energy: -479.160685 where: bonds (distance) C4'-P energy: -99.499 bonds (distance) P-C4' energy: -95.454 flat angles C4'-P-C4' energy: -119.538 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -97.817 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: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1249.490754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.490754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.490754 (E_RNA) where: Base-Base interactions energy: -809.650 where: short stacking energy: -385.961 Base-Backbone interact. energy: 2.388 local terms energy: -442.228620 where: bonds (distance) C4'-P energy: -97.706 bonds (distance) P-C4' energy: -96.814 flat angles C4'-P-C4' energy: -97.398 flat angles P-C4'-P energy: -61.429 tors. eta vs tors. theta energy: -88.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -948.163316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.163316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.163316 (E_RNA) where: Base-Base interactions energy: -536.125 where: short stacking energy: -273.245 Base-Backbone interact. energy: 6.431 local terms energy: -418.468784 where: bonds (distance) C4'-P energy: -93.409 bonds (distance) P-C4' energy: -115.680 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -67.984 tors. eta vs tors. theta energy: -42.681 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: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -597.718274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.718274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.718274 (E_RNA) where: Base-Base interactions energy: -273.418 where: short stacking energy: -169.807 Base-Backbone interact. energy: -4.283 local terms energy: -320.017362 where: bonds (distance) C4'-P energy: -86.825 bonds (distance) P-C4' energy: -105.636 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -48.632 tors. eta vs tors. theta energy: 9.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -461.945325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.945325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.945325 (E_RNA) where: Base-Base interactions energy: -172.637 where: short stacking energy: -122.856 Base-Backbone interact. energy: -0.811 local terms energy: -288.497675 where: bonds (distance) C4'-P energy: -103.226 bonds (distance) P-C4' energy: -97.697 flat angles C4'-P-C4' energy: -78.330 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: 38.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2111.514606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.514606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.514606 (E_RNA) where: Base-Base interactions energy: -1458.003 where: short stacking energy: -629.427 Base-Backbone interact. energy: -2.934 local terms energy: -650.577692 where: bonds (distance) C4'-P energy: -121.623 bonds (distance) P-C4' energy: -121.106 flat angles C4'-P-C4' energy: -138.390 flat angles P-C4'-P energy: -83.778 tors. eta vs tors. theta energy: -185.682 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: 3 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2052.566037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.566037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.566037 (E_RNA) where: Base-Base interactions energy: -1411.017 where: short stacking energy: -579.437 Base-Backbone interact. energy: -2.098 local terms energy: -639.450072 where: bonds (distance) C4'-P energy: -116.012 bonds (distance) P-C4' energy: -124.552 flat angles C4'-P-C4' energy: -132.605 flat angles P-C4'-P energy: -91.965 tors. eta vs tors. theta energy: -174.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1957.852811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.852811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.852811 (E_RNA) where: Base-Base interactions energy: -1364.840 where: short stacking energy: -567.554 Base-Backbone interact. energy: -0.344 local terms energy: -592.668009 where: bonds (distance) C4'-P energy: -105.918 bonds (distance) P-C4' energy: -108.088 flat angles C4'-P-C4' energy: -119.875 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -174.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1787.705467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.705467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.705467 (E_RNA) where: Base-Base interactions energy: -1240.248 where: short stacking energy: -507.131 Base-Backbone interact. energy: 1.799 local terms energy: -549.256506 where: bonds (distance) C4'-P energy: -109.302 bonds (distance) P-C4' energy: -107.234 flat angles C4'-P-C4' energy: -119.872 flat angles P-C4'-P energy: -81.410 tors. eta vs tors. theta energy: -131.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1763.980653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.980653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.980653 (E_RNA) where: Base-Base interactions energy: -1200.283 where: short stacking energy: -457.689 Base-Backbone interact. energy: -2.287 local terms energy: -561.410186 where: bonds (distance) C4'-P energy: -108.692 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -125.894 flat angles P-C4'-P energy: -74.139 tors. eta vs tors. theta energy: -154.673 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: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1479.432064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.432064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.432064 (E_RNA) where: Base-Base interactions energy: -995.728 where: short stacking energy: -423.177 Base-Backbone interact. energy: -3.809 local terms energy: -479.894621 where: bonds (distance) C4'-P energy: -98.643 bonds (distance) P-C4' energy: -109.236 flat angles C4'-P-C4' energy: -101.136 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -103.052 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: 1 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1223.718897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.718897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.718897 (E_RNA) where: Base-Base interactions energy: -796.921 where: short stacking energy: -371.263 Base-Backbone interact. energy: -2.395 local terms energy: -424.402885 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -96.253 flat angles C4'-P-C4' energy: -111.668 flat angles P-C4'-P energy: -61.382 tors. eta vs tors. theta energy: -69.461 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: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -981.307449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.307449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.307449 (E_RNA) where: Base-Base interactions energy: -567.014 where: short stacking energy: -279.720 Base-Backbone interact. energy: 0.152 local terms energy: -414.445354 where: bonds (distance) C4'-P energy: -99.229 bonds (distance) P-C4' energy: -109.933 flat angles C4'-P-C4' energy: -101.907 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -47.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -569.284256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.284256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.284256 (E_RNA) where: Base-Base interactions energy: -249.469 where: short stacking energy: -150.809 Base-Backbone interact. energy: 8.462 local terms energy: -328.277662 where: bonds (distance) C4'-P energy: -95.830 bonds (distance) P-C4' energy: -95.841 flat angles C4'-P-C4' energy: -87.417 flat angles P-C4'-P energy: -56.414 tors. eta vs tors. theta energy: 7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -470.793125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.793125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.793125 (E_RNA) where: Base-Base interactions energy: -191.005 where: short stacking energy: -133.515 Base-Backbone interact. energy: -1.903 local terms energy: -277.885936 where: bonds (distance) C4'-P energy: -96.479 bonds (distance) P-C4' energy: -76.047 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -30.305 tors. eta vs tors. theta energy: 15.474 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: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2102.614319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.614319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.614319 (E_RNA) where: Base-Base interactions energy: -1452.204 where: short stacking energy: -609.467 Base-Backbone interact. energy: -1.582 local terms energy: -648.827344 where: bonds (distance) C4'-P energy: -120.826 bonds (distance) P-C4' energy: -114.804 flat angles C4'-P-C4' energy: -134.580 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -175.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2031.407666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.407666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.407666 (E_RNA) where: Base-Base interactions energy: -1394.628 where: short stacking energy: -589.749 Base-Backbone interact. energy: -5.309 local terms energy: -631.470976 where: bonds (distance) C4'-P energy: -120.492 bonds (distance) P-C4' energy: -121.323 flat angles C4'-P-C4' energy: -125.071 flat angles P-C4'-P energy: -91.119 tors. eta vs tors. theta energy: -173.466 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: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1944.996026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.996026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.996026 (E_RNA) where: Base-Base interactions energy: -1337.549 where: short stacking energy: -554.248 Base-Backbone interact. energy: -2.596 local terms energy: -604.851077 where: bonds (distance) C4'-P energy: -108.349 bonds (distance) P-C4' energy: -117.762 flat angles C4'-P-C4' energy: -129.900 flat angles P-C4'-P energy: -85.223 tors. eta vs tors. theta energy: -163.617 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: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1791.990413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.990413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.990413 (E_RNA) where: Base-Base interactions energy: -1226.945 where: short stacking energy: -518.690 Base-Backbone interact. energy: -1.435 local terms energy: -563.610622 where: bonds (distance) C4'-P energy: -109.399 bonds (distance) P-C4' energy: -104.055 flat angles C4'-P-C4' energy: -116.379 flat angles P-C4'-P energy: -88.152 tors. eta vs tors. theta energy: -145.626 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: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1765.361120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.361120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.361120 (E_RNA) where: Base-Base interactions energy: -1232.350 where: short stacking energy: -519.112 Base-Backbone interact. energy: -0.022 local terms energy: -532.988508 where: bonds (distance) C4'-P energy: -100.762 bonds (distance) P-C4' energy: -99.595 flat angles C4'-P-C4' energy: -118.386 flat angles P-C4'-P energy: -62.933 tors. eta vs tors. theta energy: -151.313 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: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1480.027311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.027311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.027311 (E_RNA) where: Base-Base interactions energy: -995.385 where: short stacking energy: -414.435 Base-Backbone interact. energy: 1.291 local terms energy: -485.933095 where: bonds (distance) C4'-P energy: -113.723 bonds (distance) P-C4' energy: -96.157 flat angles C4'-P-C4' energy: -105.609 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -101.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1250.035639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.035639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.035639 (E_RNA) where: Base-Base interactions energy: -800.732 where: short stacking energy: -386.355 Base-Backbone interact. energy: 3.016 local terms energy: -452.319521 where: bonds (distance) C4'-P energy: -77.644 bonds (distance) P-C4' energy: -109.659 flat angles C4'-P-C4' energy: -116.962 flat angles P-C4'-P energy: -62.027 tors. eta vs tors. theta energy: -86.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1031.147064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.147064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.147064 (E_RNA) where: Base-Base interactions energy: -616.952 where: short stacking energy: -300.518 Base-Backbone interact. energy: 0.031 local terms energy: -414.226208 where: bonds (distance) C4'-P energy: -100.157 bonds (distance) P-C4' energy: -106.921 flat angles C4'-P-C4' energy: -92.418 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -46.011 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: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -580.488821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.488821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.488821 (E_RNA) where: Base-Base interactions energy: -260.842 where: short stacking energy: -146.457 Base-Backbone interact. energy: 3.977 local terms energy: -323.623870 where: bonds (distance) C4'-P energy: -98.163 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -85.624 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: 8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -454.621356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.621356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.621356 (E_RNA) where: Base-Base interactions energy: -156.662 where: short stacking energy: -129.570 Base-Backbone interact. energy: 10.790 local terms energy: -308.749264 where: bonds (distance) C4'-P energy: -105.754 bonds (distance) P-C4' energy: -92.426 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -58.469 tors. eta vs tors. theta energy: 26.171 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: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2117.353173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.353173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.353173 (E_RNA) where: Base-Base interactions energy: -1469.461 where: short stacking energy: -635.318 Base-Backbone interact. energy: -2.501 local terms energy: -645.391004 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -121.697 flat angles C4'-P-C4' energy: -138.856 flat angles P-C4'-P energy: -94.493 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: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2057.398660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.398660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.398660 (E_RNA) where: Base-Base interactions energy: -1430.012 where: short stacking energy: -608.889 Base-Backbone interact. energy: 0.488 local terms energy: -627.874321 where: bonds (distance) C4'-P energy: -122.684 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -127.928 flat angles P-C4'-P energy: -86.433 tors. eta vs tors. theta energy: -177.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1946.728185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.728185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.728185 (E_RNA) where: Base-Base interactions energy: -1359.588 where: short stacking energy: -548.709 Base-Backbone interact. energy: -2.022 local terms energy: -585.118261 where: bonds (distance) C4'-P energy: -116.851 bonds (distance) P-C4' energy: -96.212 flat angles C4'-P-C4' energy: -126.527 flat angles P-C4'-P energy: -83.453 tors. eta vs tors. theta energy: -162.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1783.045987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.045987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.045987 (E_RNA) where: Base-Base interactions energy: -1224.822 where: short stacking energy: -515.951 Base-Backbone interact. energy: -0.945 local terms energy: -557.278974 where: bonds (distance) C4'-P energy: -102.632 bonds (distance) P-C4' energy: -111.163 flat angles C4'-P-C4' energy: -114.545 flat angles P-C4'-P energy: -83.123 tors. eta vs tors. theta energy: -145.815 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: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1754.151293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.151293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.151293 (E_RNA) where: Base-Base interactions energy: -1190.339 where: short stacking energy: -513.954 Base-Backbone interact. energy: -0.697 local terms energy: -563.114696 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -105.823 flat angles C4'-P-C4' energy: -126.536 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -149.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1430.896572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.896572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.896572 (E_RNA) where: Base-Base interactions energy: -978.120 where: short stacking energy: -402.946 Base-Backbone interact. energy: -0.133 local terms energy: -452.642649 where: bonds (distance) C4'-P energy: -95.025 bonds (distance) P-C4' energy: -102.591 flat angles C4'-P-C4' energy: -103.517 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -94.081 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: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1297.180313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.180313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.180313 (E_RNA) where: Base-Base interactions energy: -820.293 where: short stacking energy: -375.899 Base-Backbone interact. energy: 5.814 local terms energy: -482.701502 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -110.880 flat angles C4'-P-C4' energy: -103.468 flat angles P-C4'-P energy: -81.055 tors. eta vs tors. theta energy: -95.176 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: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1093.196693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.196693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.196693 (E_RNA) where: Base-Base interactions energy: -687.205 where: short stacking energy: -324.233 Base-Backbone interact. energy: -1.570 local terms energy: -404.420959 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -88.280 flat angles C4'-P-C4' energy: -114.330 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -45.243 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: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -592.069962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.069962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.069962 (E_RNA) where: Base-Base interactions energy: -267.475 where: short stacking energy: -182.774 Base-Backbone interact. energy: 1.012 local terms energy: -325.607094 where: bonds (distance) C4'-P energy: -79.059 bonds (distance) P-C4' energy: -84.582 flat angles C4'-P-C4' energy: -88.744 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -466.013175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.013175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.013175 (E_RNA) where: Base-Base interactions energy: -135.072 where: short stacking energy: -103.747 Base-Backbone interact. energy: -1.172 local terms energy: -329.768799 where: bonds (distance) C4'-P energy: -94.291 bonds (distance) P-C4' energy: -100.595 flat angles C4'-P-C4' energy: -87.431 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: 9.706 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: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2064.524959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.524959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.524959 (E_RNA) where: Base-Base interactions energy: -1432.736 where: short stacking energy: -581.079 Base-Backbone interact. energy: 0.168 local terms energy: -631.956903 where: bonds (distance) C4'-P energy: -123.010 bonds (distance) P-C4' energy: -117.110 flat angles C4'-P-C4' energy: -130.576 flat angles P-C4'-P energy: -99.448 tors. eta vs tors. theta energy: -161.813 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: 213 Temperature: 0.950000 Total energy: -2032.812762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.812762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.812762 (E_RNA) where: Base-Base interactions energy: -1431.204 where: short stacking energy: -580.097 Base-Backbone interact. energy: -1.050 local terms energy: -600.559133 where: bonds (distance) C4'-P energy: -106.172 bonds (distance) P-C4' energy: -99.031 flat angles C4'-P-C4' energy: -139.073 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: -182.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1947.940612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.940612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.940612 (E_RNA) where: Base-Base interactions energy: -1352.178 where: short stacking energy: -566.193 Base-Backbone interact. energy: -1.047 local terms energy: -594.715964 where: bonds (distance) C4'-P energy: -113.419 bonds (distance) P-C4' energy: -116.033 flat angles C4'-P-C4' energy: -124.319 flat angles P-C4'-P energy: -71.001 tors. eta vs tors. theta energy: -169.944 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: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1790.298263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.298263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.298263 (E_RNA) where: Base-Base interactions energy: -1209.467 where: short stacking energy: -502.975 Base-Backbone interact. energy: -5.276 local terms energy: -575.555312 where: bonds (distance) C4'-P energy: -112.180 bonds (distance) P-C4' energy: -112.941 flat angles C4'-P-C4' energy: -115.291 flat angles P-C4'-P energy: -84.586 tors. eta vs tors. theta energy: -150.557 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: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1802.739961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.739961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.739961 (E_RNA) where: Base-Base interactions energy: -1261.280 where: short stacking energy: -518.028 Base-Backbone interact. energy: -4.858 local terms energy: -536.601332 where: bonds (distance) C4'-P energy: -111.278 bonds (distance) P-C4' energy: -110.377 flat angles C4'-P-C4' energy: -119.263 flat angles P-C4'-P energy: -57.684 tors. eta vs tors. theta energy: -137.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1449.139500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.139500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.139500 (E_RNA) where: Base-Base interactions energy: -980.800 where: short stacking energy: -420.872 Base-Backbone interact. energy: 4.396 local terms energy: -472.736216 where: bonds (distance) C4'-P energy: -109.225 bonds (distance) P-C4' energy: -90.848 flat angles C4'-P-C4' energy: -107.688 flat angles P-C4'-P energy: -56.357 tors. eta vs tors. theta energy: -108.618 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: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1354.866368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.866368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.866368 (E_RNA) where: Base-Base interactions energy: -880.423 where: short stacking energy: -385.330 Base-Backbone interact. energy: -0.759 local terms energy: -473.684740 where: bonds (distance) C4'-P energy: -105.724 bonds (distance) P-C4' energy: -109.545 flat angles C4'-P-C4' energy: -105.339 flat angles P-C4'-P energy: -69.407 tors. eta vs tors. theta energy: -83.670 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: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1121.517139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.517139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.517139 (E_RNA) where: Base-Base interactions energy: -683.016 where: short stacking energy: -336.858 Base-Backbone interact. energy: 0.723 local terms energy: -439.224841 where: bonds (distance) C4'-P energy: -100.577 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -72.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -543.241227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.241227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.241227 (E_RNA) where: Base-Base interactions energy: -228.981 where: short stacking energy: -148.818 Base-Backbone interact. energy: 2.924 local terms energy: -317.184634 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -109.135 flat angles C4'-P-C4' energy: -83.298 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: 11.243 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: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -467.515552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.515552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.515552 (E_RNA) where: Base-Base interactions energy: -179.732 where: short stacking energy: -152.010 Base-Backbone interact. energy: -1.015 local terms energy: -286.769060 where: bonds (distance) C4'-P energy: -77.308 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -90.292 flat angles P-C4'-P energy: -30.332 tors. eta vs tors. theta energy: 17.629 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: 214 Temperature: 0.900000 Total energy: -2085.373507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.373507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.373507 (E_RNA) where: Base-Base interactions energy: -1424.804 where: short stacking energy: -582.802 Base-Backbone interact. energy: -3.561 local terms energy: -657.008349 where: bonds (distance) C4'-P energy: -125.882 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -130.679 flat angles P-C4'-P energy: -95.850 tors. eta vs tors. theta energy: -177.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2063.359849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.359849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.359849 (E_RNA) where: Base-Base interactions energy: -1457.066 where: short stacking energy: -610.675 Base-Backbone interact. energy: -0.489 local terms energy: -605.804807 where: bonds (distance) C4'-P energy: -107.251 bonds (distance) P-C4' energy: -109.788 flat angles C4'-P-C4' energy: -130.728 flat angles P-C4'-P energy: -95.120 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: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1900.748828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.748828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.748828 (E_RNA) where: Base-Base interactions energy: -1297.822 where: short stacking energy: -534.398 Base-Backbone interact. energy: -0.172 local terms energy: -602.754895 where: bonds (distance) C4'-P energy: -118.717 bonds (distance) P-C4' energy: -117.319 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -78.169 tors. eta vs tors. theta energy: -160.471 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: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1812.203003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.203003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.203003 (E_RNA) where: Base-Base interactions energy: -1248.983 where: short stacking energy: -527.884 Base-Backbone interact. energy: -2.338 local terms energy: -560.881304 where: bonds (distance) C4'-P energy: -101.368 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -121.472 flat angles P-C4'-P energy: -83.839 tors. eta vs tors. theta energy: -150.298 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: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1763.230405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.230405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.230405 (E_RNA) where: Base-Base interactions energy: -1247.062 where: short stacking energy: -505.362 Base-Backbone interact. energy: 0.290 local terms energy: -516.459071 where: bonds (distance) C4'-P energy: -85.994 bonds (distance) P-C4' energy: -108.313 flat angles C4'-P-C4' energy: -125.511 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: -129.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1516.768720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.768720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.768720 (E_RNA) where: Base-Base interactions energy: -1018.440 where: short stacking energy: -437.740 Base-Backbone interact. energy: 0.824 local terms energy: -499.152170 where: bonds (distance) C4'-P energy: -93.589 bonds (distance) P-C4' energy: -107.922 flat angles C4'-P-C4' energy: -117.353 flat angles P-C4'-P energy: -70.229 tors. eta vs tors. theta energy: -110.059 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: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1283.402825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.402825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.402825 (E_RNA) where: Base-Base interactions energy: -832.471 where: short stacking energy: -378.726 Base-Backbone interact. energy: 3.526 local terms energy: -454.457689 where: bonds (distance) C4'-P energy: -87.965 bonds (distance) P-C4' energy: -94.649 flat angles C4'-P-C4' energy: -114.915 flat angles P-C4'-P energy: -71.435 tors. eta vs tors. theta energy: -85.494 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: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1169.112026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.112026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.112026 (E_RNA) where: Base-Base interactions energy: -757.903 where: short stacking energy: -324.141 Base-Backbone interact. energy: 3.735 local terms energy: -414.944564 where: bonds (distance) C4'-P energy: -87.153 bonds (distance) P-C4' energy: -101.205 flat angles C4'-P-C4' energy: -109.031 flat angles P-C4'-P energy: -56.752 tors. eta vs tors. theta energy: -60.804 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: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -600.651580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.651580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.651580 (E_RNA) where: Base-Base interactions energy: -281.614 where: short stacking energy: -195.064 Base-Backbone interact. energy: 0.701 local terms energy: -319.739005 where: bonds (distance) C4'-P energy: -99.803 bonds (distance) P-C4' energy: -91.921 flat angles C4'-P-C4' energy: -80.954 flat angles P-C4'-P energy: -36.596 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -457.677354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.677354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.677354 (E_RNA) where: Base-Base interactions energy: -162.600 where: short stacking energy: -133.265 Base-Backbone interact. energy: -0.598 local terms energy: -294.479315 where: bonds (distance) C4'-P energy: -85.043 bonds (distance) P-C4' energy: -88.934 flat angles C4'-P-C4' energy: -81.811 flat angles P-C4'-P energy: -53.674 tors. eta vs tors. theta energy: 14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2056.324098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.324098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.324098 (E_RNA) where: Base-Base interactions energy: -1427.911 where: short stacking energy: -573.443 Base-Backbone interact. energy: -4.685 local terms energy: -623.728068 where: bonds (distance) C4'-P energy: -118.513 bonds (distance) P-C4' energy: -120.712 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -83.162 tors. eta vs tors. theta energy: -168.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2031.636515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.636515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.636515 (E_RNA) where: Base-Base interactions energy: -1407.696 where: short stacking energy: -582.480 Base-Backbone interact. energy: -2.071 local terms energy: -621.869714 where: bonds (distance) C4'-P energy: -106.535 bonds (distance) P-C4' energy: -123.833 flat angles C4'-P-C4' energy: -127.412 flat angles P-C4'-P energy: -89.316 tors. eta vs tors. theta energy: -174.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1906.978635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.978635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.978635 (E_RNA) where: Base-Base interactions energy: -1284.364 where: short stacking energy: -546.375 Base-Backbone interact. energy: -0.981 local terms energy: -621.633733 where: bonds (distance) C4'-P energy: -119.057 bonds (distance) P-C4' energy: -117.773 flat angles C4'-P-C4' energy: -132.451 flat angles P-C4'-P energy: -84.263 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: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1821.929106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.929106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.929106 (E_RNA) where: Base-Base interactions energy: -1232.338 where: short stacking energy: -522.217 Base-Backbone interact. energy: -1.653 local terms energy: -587.938264 where: bonds (distance) C4'-P energy: -107.133 bonds (distance) P-C4' energy: -116.800 flat angles C4'-P-C4' energy: -116.198 flat angles P-C4'-P energy: -87.167 tors. eta vs tors. theta energy: -160.640 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: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1682.913962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.913962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.913962 (E_RNA) where: Base-Base interactions energy: -1143.201 where: short stacking energy: -496.387 Base-Backbone interact. energy: -4.110 local terms energy: -535.602457 where: bonds (distance) C4'-P energy: -109.825 bonds (distance) P-C4' energy: -102.499 flat angles C4'-P-C4' energy: -111.499 flat angles P-C4'-P energy: -76.692 tors. eta vs tors. theta energy: -135.087 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: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1467.587768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.587768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.587768 (E_RNA) where: Base-Base interactions energy: -961.083 where: short stacking energy: -405.366 Base-Backbone interact. energy: 1.292 local terms energy: -507.796691 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -102.471 flat angles C4'-P-C4' energy: -118.199 flat angles P-C4'-P energy: -77.468 tors. eta vs tors. theta energy: -99.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1254.667623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.667623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.667623 (E_RNA) where: Base-Base interactions energy: -802.689 where: short stacking energy: -367.399 Base-Backbone interact. energy: 8.439 local terms energy: -460.418055 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -113.308 flat angles C4'-P-C4' energy: -96.159 flat angles P-C4'-P energy: -61.043 tors. eta vs tors. theta energy: -83.323 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: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1171.756437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.756437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.756437 (E_RNA) where: Base-Base interactions energy: -776.354 where: short stacking energy: -331.331 Base-Backbone interact. energy: -1.707 local terms energy: -393.696044 where: bonds (distance) C4'-P energy: -80.575 bonds (distance) P-C4' energy: -98.149 flat angles C4'-P-C4' energy: -83.076 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -65.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -591.014402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.014402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.014402 (E_RNA) where: Base-Base interactions energy: -249.266 where: short stacking energy: -160.883 Base-Backbone interact. energy: 5.007 local terms energy: -346.755663 where: bonds (distance) C4'-P energy: -109.318 bonds (distance) P-C4' energy: -94.545 flat angles C4'-P-C4' energy: -97.518 flat angles P-C4'-P energy: -39.596 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -536.067205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.067205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.067205 (E_RNA) where: Base-Base interactions energy: -220.185 where: short stacking energy: -155.346 Base-Backbone interact. energy: 6.050 local terms energy: -321.932186 where: bonds (distance) C4'-P energy: -83.572 bonds (distance) P-C4' energy: -90.438 flat angles C4'-P-C4' energy: -101.723 flat angles P-C4'-P energy: -52.487 tors. eta vs tors. theta energy: 6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2070.787700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.787700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.787700 (E_RNA) where: Base-Base interactions energy: -1457.481 where: short stacking energy: -596.523 Base-Backbone interact. energy: 9.364 local terms energy: -622.670539 where: bonds (distance) C4'-P energy: -110.799 bonds (distance) P-C4' energy: -111.962 flat angles C4'-P-C4' energy: -141.834 flat angles P-C4'-P energy: -83.733 tors. eta vs tors. theta energy: -174.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2043.615660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.615660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.615660 (E_RNA) where: Base-Base interactions energy: -1431.728 where: short stacking energy: -598.609 Base-Backbone interact. energy: -3.252 local terms energy: -608.635446 where: bonds (distance) C4'-P energy: -116.850 bonds (distance) P-C4' energy: -109.789 flat angles C4'-P-C4' energy: -131.022 flat angles P-C4'-P energy: -79.612 tors. eta vs tors. theta energy: -171.362 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: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1915.989417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.989417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.989417 (E_RNA) where: Base-Base interactions energy: -1307.157 where: short stacking energy: -558.771 Base-Backbone interact. energy: 3.460 local terms energy: -612.292426 where: bonds (distance) C4'-P energy: -120.647 bonds (distance) P-C4' energy: -104.849 flat angles C4'-P-C4' energy: -134.334 flat angles P-C4'-P energy: -84.927 tors. eta vs tors. theta energy: -167.535 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: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1866.072628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.072628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.072628 (E_RNA) where: Base-Base interactions energy: -1265.911 where: short stacking energy: -532.752 Base-Backbone interact. energy: 3.658 local terms energy: -603.819478 where: bonds (distance) C4'-P energy: -116.232 bonds (distance) P-C4' energy: -124.897 flat angles C4'-P-C4' energy: -129.512 flat angles P-C4'-P energy: -75.587 tors. eta vs tors. theta energy: -157.591 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: 9 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1683.862513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.862513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.862513 (E_RNA) where: Base-Base interactions energy: -1168.807 where: short stacking energy: -486.380 Base-Backbone interact. energy: -0.993 local terms energy: -514.061890 where: bonds (distance) C4'-P energy: -102.197 bonds (distance) P-C4' energy: -106.798 flat angles C4'-P-C4' energy: -116.508 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: -123.301 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: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1463.147578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.147578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.147578 (E_RNA) where: Base-Base interactions energy: -992.963 where: short stacking energy: -411.002 Base-Backbone interact. energy: -3.688 local terms energy: -466.497081 where: bonds (distance) C4'-P energy: -97.280 bonds (distance) P-C4' energy: -106.020 flat angles C4'-P-C4' energy: -103.882 flat angles P-C4'-P energy: -53.010 tors. eta vs tors. theta energy: -106.305 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: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1240.061593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.061593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.061593 (E_RNA) where: Base-Base interactions energy: -785.864 where: short stacking energy: -342.417 Base-Backbone interact. energy: -1.053 local terms energy: -453.144313 where: bonds (distance) C4'-P energy: -105.934 bonds (distance) P-C4' energy: -100.532 flat angles C4'-P-C4' energy: -100.303 flat angles P-C4'-P energy: -72.979 tors. eta vs tors. theta energy: -73.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1187.572879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.572879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.572879 (E_RNA) where: Base-Base interactions energy: -766.123 where: short stacking energy: -349.710 Base-Backbone interact. energy: -1.069 local terms energy: -420.380846 where: bonds (distance) C4'-P energy: -83.631 bonds (distance) P-C4' energy: -107.975 flat angles C4'-P-C4' energy: -108.846 flat angles P-C4'-P energy: -60.806 tors. eta vs tors. theta energy: -59.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -601.430135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.430135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.430135 (E_RNA) where: Base-Base interactions energy: -265.079 where: short stacking energy: -191.343 Base-Backbone interact. energy: -0.995 local terms energy: -335.356711 where: bonds (distance) C4'-P energy: -103.323 bonds (distance) P-C4' energy: -112.323 flat angles C4'-P-C4' energy: -85.367 flat angles P-C4'-P energy: -22.984 tors. eta vs tors. theta energy: -11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -535.100385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.100385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.100385 (E_RNA) where: Base-Base interactions energy: -221.360 where: short stacking energy: -160.828 Base-Backbone interact. energy: -1.067 local terms energy: -312.674268 where: bonds (distance) C4'-P energy: -79.940 bonds (distance) P-C4' energy: -100.763 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -61.047 tors. eta vs tors. theta energy: 5.170 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: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2069.093412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.093412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.093412 (E_RNA) where: Base-Base interactions energy: -1445.234 where: short stacking energy: -602.552 Base-Backbone interact. energy: -2.666 local terms energy: -621.193463 where: bonds (distance) C4'-P energy: -114.464 bonds (distance) P-C4' energy: -112.624 flat angles C4'-P-C4' energy: -131.353 flat angles P-C4'-P energy: -91.495 tors. eta vs tors. theta energy: -171.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2012.329179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.329179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.329179 (E_RNA) where: Base-Base interactions energy: -1395.214 where: short stacking energy: -574.355 Base-Backbone interact. energy: -1.979 local terms energy: -615.136052 where: bonds (distance) C4'-P energy: -109.996 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -134.442 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -162.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1935.575934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.575934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.575934 (E_RNA) where: Base-Base interactions energy: -1306.208 where: short stacking energy: -554.012 Base-Backbone interact. energy: 0.326 local terms energy: -629.693377 where: bonds (distance) C4'-P energy: -112.759 bonds (distance) P-C4' energy: -133.760 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -87.770 tors. eta vs tors. theta energy: -165.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1849.284022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.284022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.284022 (E_RNA) where: Base-Base interactions energy: -1268.501 where: short stacking energy: -554.214 Base-Backbone interact. energy: -4.039 local terms energy: -576.744142 where: bonds (distance) C4'-P energy: -97.170 bonds (distance) P-C4' energy: -101.813 flat angles C4'-P-C4' energy: -127.689 flat angles P-C4'-P energy: -82.799 tors. eta vs tors. theta energy: -167.274 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: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1728.429178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.429178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.429178 (E_RNA) where: Base-Base interactions energy: -1189.475 where: short stacking energy: -500.973 Base-Backbone interact. energy: -1.179 local terms energy: -537.774422 where: bonds (distance) C4'-P energy: -97.150 bonds (distance) P-C4' energy: -116.708 flat angles C4'-P-C4' energy: -107.341 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: -144.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1466.785875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.785875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.785875 (E_RNA) where: Base-Base interactions energy: -982.963 where: short stacking energy: -427.987 Base-Backbone interact. energy: -1.458 local terms energy: -482.365554 where: bonds (distance) C4'-P energy: -99.283 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -109.305 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -102.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1211.659536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.659536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.659536 (E_RNA) where: Base-Base interactions energy: -775.044 where: short stacking energy: -357.934 Base-Backbone interact. energy: -0.918 local terms energy: -435.696776 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -95.676 flat angles C4'-P-C4' energy: -99.187 flat angles P-C4'-P energy: -70.229 tors. eta vs tors. theta energy: -76.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1216.703415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.703415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.703415 (E_RNA) where: Base-Base interactions energy: -750.908 where: short stacking energy: -350.310 Base-Backbone interact. energy: 1.577 local terms energy: -467.372442 where: bonds (distance) C4'-P energy: -99.917 bonds (distance) P-C4' energy: -103.379 flat angles C4'-P-C4' energy: -115.333 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -88.424 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: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -559.069372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.069372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.069372 (E_RNA) where: Base-Base interactions energy: -240.811 where: short stacking energy: -145.346 Base-Backbone interact. energy: -0.033 local terms energy: -318.226018 where: bonds (distance) C4'-P energy: -99.965 bonds (distance) P-C4' energy: -101.784 flat angles C4'-P-C4' energy: -92.836 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: 23.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -533.244816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.244816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.244816 (E_RNA) where: Base-Base interactions energy: -233.129 where: short stacking energy: -181.745 Base-Backbone interact. energy: -2.604 local terms energy: -297.512320 where: bonds (distance) C4'-P energy: -80.805 bonds (distance) P-C4' energy: -91.198 flat angles C4'-P-C4' energy: -66.309 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: -8.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2068.886303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.886303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.886303 (E_RNA) where: Base-Base interactions energy: -1422.925 where: short stacking energy: -593.524 Base-Backbone interact. energy: -1.669 local terms energy: -644.292111 where: bonds (distance) C4'-P energy: -122.448 bonds (distance) P-C4' energy: -112.438 flat angles C4'-P-C4' energy: -140.399 flat angles P-C4'-P energy: -92.760 tors. eta vs tors. theta energy: -176.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2040.104118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.104118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.104118 (E_RNA) where: Base-Base interactions energy: -1403.004 where: short stacking energy: -579.807 Base-Backbone interact. energy: -2.276 local terms energy: -634.823471 where: bonds (distance) C4'-P energy: -106.473 bonds (distance) P-C4' energy: -129.513 flat angles C4'-P-C4' energy: -138.746 flat angles P-C4'-P energy: -84.556 tors. eta vs tors. theta energy: -175.535 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: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1932.862907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.862907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.862907 (E_RNA) where: Base-Base interactions energy: -1303.652 where: short stacking energy: -596.747 Base-Backbone interact. energy: 0.245 local terms energy: -629.455789 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -110.085 flat angles C4'-P-C4' energy: -140.229 flat angles P-C4'-P energy: -86.339 tors. eta vs tors. theta energy: -185.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1856.870201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.870201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.870201 (E_RNA) where: Base-Base interactions energy: -1278.191 where: short stacking energy: -550.088 Base-Backbone interact. energy: -4.604 local terms energy: -574.074868 where: bonds (distance) C4'-P energy: -106.752 bonds (distance) P-C4' energy: -99.235 flat angles C4'-P-C4' energy: -123.216 flat angles P-C4'-P energy: -87.332 tors. eta vs tors. theta energy: -157.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1743.190365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.190365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.190365 (E_RNA) where: Base-Base interactions energy: -1235.021 where: short stacking energy: -528.652 Base-Backbone interact. energy: -0.047 local terms energy: -508.122404 where: bonds (distance) C4'-P energy: -101.690 bonds (distance) P-C4' energy: -90.310 flat angles C4'-P-C4' energy: -116.869 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -135.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1508.090416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.090416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.090416 (E_RNA) where: Base-Base interactions energy: -1015.744 where: short stacking energy: -418.955 Base-Backbone interact. energy: -2.449 local terms energy: -489.897927 where: bonds (distance) C4'-P energy: -106.216 bonds (distance) P-C4' energy: -101.533 flat angles C4'-P-C4' energy: -108.036 flat angles P-C4'-P energy: -64.794 tors. eta vs tors. theta energy: -109.319 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: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1265.816658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.816658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.816658 (E_RNA) where: Base-Base interactions energy: -798.615 where: short stacking energy: -385.076 Base-Backbone interact. energy: -0.261 local terms energy: -466.940778 where: bonds (distance) C4'-P energy: -99.028 bonds (distance) P-C4' energy: -105.994 flat angles C4'-P-C4' energy: -108.629 flat angles P-C4'-P energy: -56.646 tors. eta vs tors. theta energy: -96.644 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: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1176.110426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.110426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.110426 (E_RNA) where: Base-Base interactions energy: -727.560 where: short stacking energy: -321.945 Base-Backbone interact. energy: -1.444 local terms energy: -447.105951 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -104.903 flat angles C4'-P-C4' energy: -108.077 flat angles P-C4'-P energy: -64.703 tors. eta vs tors. theta energy: -75.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -544.467665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.467665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.467665 (E_RNA) where: Base-Base interactions energy: -215.325 where: short stacking energy: -144.323 Base-Backbone interact. energy: 2.475 local terms energy: -331.617620 where: bonds (distance) C4'-P energy: -103.822 bonds (distance) P-C4' energy: -100.810 flat angles C4'-P-C4' energy: -79.906 flat angles P-C4'-P energy: -61.999 tors. eta vs tors. theta energy: 14.920 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: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -503.853200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.853200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.853200 (E_RNA) where: Base-Base interactions energy: -211.467 where: short stacking energy: -146.169 Base-Backbone interact. energy: 4.675 local terms energy: -297.061114 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -104.387 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -40.464 tors. eta vs tors. theta energy: 12.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2067.719881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.719881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.719881 (E_RNA) where: Base-Base interactions energy: -1428.337 where: short stacking energy: -590.114 Base-Backbone interact. energy: -2.629 local terms energy: -636.753111 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -113.292 flat angles C4'-P-C4' energy: -138.896 flat angles P-C4'-P energy: -93.863 tors. eta vs tors. theta energy: -173.372 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: 219 Temperature: 0.950000 Total energy: -2046.781423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.781423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.781423 (E_RNA) where: Base-Base interactions energy: -1417.839 where: short stacking energy: -582.761 Base-Backbone interact. energy: -1.685 local terms energy: -627.257868 where: bonds (distance) C4'-P energy: -109.120 bonds (distance) P-C4' energy: -116.690 flat angles C4'-P-C4' energy: -133.239 flat angles P-C4'-P energy: -91.521 tors. eta vs tors. theta energy: -176.687 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: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1963.169771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.169771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.169771 (E_RNA) where: Base-Base interactions energy: -1336.051 where: short stacking energy: -561.851 Base-Backbone interact. energy: -3.194 local terms energy: -623.924481 where: bonds (distance) C4'-P energy: -118.821 bonds (distance) P-C4' energy: -110.644 flat angles C4'-P-C4' energy: -126.772 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: -178.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1848.347292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.347292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.347292 (E_RNA) where: Base-Base interactions energy: -1266.243 where: short stacking energy: -527.197 Base-Backbone interact. energy: -1.495 local terms energy: -580.609559 where: bonds (distance) C4'-P energy: -103.918 bonds (distance) P-C4' energy: -106.922 flat angles C4'-P-C4' energy: -127.698 flat angles P-C4'-P energy: -81.406 tors. eta vs tors. theta energy: -160.666 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: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1777.306766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.306766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.306766 (E_RNA) where: Base-Base interactions energy: -1230.803 where: short stacking energy: -499.942 Base-Backbone interact. energy: 0.470 local terms energy: -546.973902 where: bonds (distance) C4'-P energy: -106.572 bonds (distance) P-C4' energy: -113.878 flat angles C4'-P-C4' energy: -110.108 flat angles P-C4'-P energy: -66.701 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: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1480.554664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.554664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.554664 (E_RNA) where: Base-Base interactions energy: -985.928 where: short stacking energy: -430.056 Base-Backbone interact. energy: -4.902 local terms energy: -489.724284 where: bonds (distance) C4'-P energy: -86.674 bonds (distance) P-C4' energy: -103.926 flat angles C4'-P-C4' energy: -114.803 flat angles P-C4'-P energy: -70.646 tors. eta vs tors. theta energy: -113.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1272.574399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.574399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.574399 (E_RNA) where: Base-Base interactions energy: -795.518 where: short stacking energy: -378.885 Base-Backbone interact. energy: -1.288 local terms energy: -475.768578 where: bonds (distance) C4'-P energy: -106.192 bonds (distance) P-C4' energy: -108.627 flat angles C4'-P-C4' energy: -112.650 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: -91.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1186.585218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.585218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.585218 (E_RNA) where: Base-Base interactions energy: -764.812 where: short stacking energy: -339.953 Base-Backbone interact. energy: -1.282 local terms energy: -420.491501 where: bonds (distance) C4'-P energy: -76.905 bonds (distance) P-C4' energy: -102.549 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -79.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -502.878659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.878659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.878659 (E_RNA) where: Base-Base interactions energy: -184.083 where: short stacking energy: -133.029 Base-Backbone interact. energy: 5.570 local terms energy: -324.364869 where: bonds (distance) C4'-P energy: -94.969 bonds (distance) P-C4' energy: -107.985 flat angles C4'-P-C4' energy: -79.065 flat angles P-C4'-P energy: -56.003 tors. eta vs tors. theta energy: 13.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -535.049016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.049016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.049016 (E_RNA) where: Base-Base interactions energy: -229.595 where: short stacking energy: -141.017 Base-Backbone interact. energy: 3.306 local terms energy: -308.760580 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -103.298 flat angles C4'-P-C4' energy: -87.129 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: 6.144 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: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2080.103036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.103036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.103036 (E_RNA) where: Base-Base interactions energy: -1439.011 where: short stacking energy: -613.224 Base-Backbone interact. energy: -3.696 local terms energy: -637.395932 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -126.875 flat angles C4'-P-C4' energy: -117.515 flat angles P-C4'-P energy: -85.284 tors. eta vs tors. theta energy: -176.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2045.778007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.778007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.778007 (E_RNA) where: Base-Base interactions energy: -1397.380 where: short stacking energy: -597.104 Base-Backbone interact. energy: -1.849 local terms energy: -646.548607 where: bonds (distance) C4'-P energy: -112.245 bonds (distance) P-C4' energy: -126.132 flat angles C4'-P-C4' energy: -135.398 flat angles P-C4'-P energy: -89.794 tors. eta vs tors. theta energy: -182.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1929.745189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.745189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.745189 (E_RNA) where: Base-Base interactions energy: -1332.153 where: short stacking energy: -559.327 Base-Backbone interact. energy: -4.092 local terms energy: -593.500858 where: bonds (distance) C4'-P energy: -109.539 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -119.789 flat angles P-C4'-P energy: -79.347 tors. eta vs tors. theta energy: -167.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1776.874306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.874306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.874306 (E_RNA) where: Base-Base interactions energy: -1210.229 where: short stacking energy: -506.819 Base-Backbone interact. energy: -6.204 local terms energy: -560.441597 where: bonds (distance) C4'-P energy: -113.463 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -122.173 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -139.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1765.007191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.007191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.007191 (E_RNA) where: Base-Base interactions energy: -1206.205 where: short stacking energy: -516.299 Base-Backbone interact. energy: -1.888 local terms energy: -556.913684 where: bonds (distance) C4'-P energy: -94.381 bonds (distance) P-C4' energy: -102.781 flat angles C4'-P-C4' energy: -127.049 flat angles P-C4'-P energy: -83.022 tors. eta vs tors. theta energy: -149.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1489.621887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.621887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.621887 (E_RNA) where: Base-Base interactions energy: -1006.049 where: short stacking energy: -446.597 Base-Backbone interact. energy: -2.156 local terms energy: -481.417709 where: bonds (distance) C4'-P energy: -94.297 bonds (distance) P-C4' energy: -105.457 flat angles C4'-P-C4' energy: -94.379 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -122.664 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: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1303.539984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.539984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.539984 (E_RNA) where: Base-Base interactions energy: -809.833 where: short stacking energy: -381.324 Base-Backbone interact. energy: -0.019 local terms energy: -493.687288 where: bonds (distance) C4'-P energy: -109.818 bonds (distance) P-C4' energy: -104.255 flat angles C4'-P-C4' energy: -106.440 flat angles P-C4'-P energy: -75.452 tors. eta vs tors. theta energy: -97.722 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: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1146.969643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.969643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.969643 (E_RNA) where: Base-Base interactions energy: -739.864 where: short stacking energy: -326.135 Base-Backbone interact. energy: 2.780 local terms energy: -409.885995 where: bonds (distance) C4'-P energy: -100.049 bonds (distance) P-C4' energy: -96.559 flat angles C4'-P-C4' energy: -95.212 flat angles P-C4'-P energy: -60.733 tors. eta vs tors. theta energy: -57.333 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: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -559.647533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.647533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.647533 (E_RNA) where: Base-Base interactions energy: -218.708 where: short stacking energy: -142.091 Base-Backbone interact. energy: 1.267 local terms energy: -342.206738 where: bonds (distance) C4'-P energy: -87.478 bonds (distance) P-C4' energy: -117.373 flat angles C4'-P-C4' energy: -98.741 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: 15.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -472.448600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.448600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.448600 (E_RNA) where: Base-Base interactions energy: -145.739 where: short stacking energy: -107.422 Base-Backbone interact. energy: 0.600 local terms energy: -327.310405 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -108.152 flat angles C4'-P-C4' energy: -104.307 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: 21.848 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: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2098.818214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.818214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.818214 (E_RNA) where: Base-Base interactions energy: -1475.060 where: short stacking energy: -621.255 Base-Backbone interact. energy: -1.851 local terms energy: -621.906940 where: bonds (distance) C4'-P energy: -103.946 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -95.759 tors. eta vs tors. theta energy: -179.937 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: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2029.890912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.890912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.890912 (E_RNA) where: Base-Base interactions energy: -1403.580 where: short stacking energy: -578.937 Base-Backbone interact. energy: -4.443 local terms energy: -621.867404 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -111.499 flat angles C4'-P-C4' energy: -140.858 flat angles P-C4'-P energy: -83.533 tors. eta vs tors. theta energy: -171.258 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: 3, replica: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1911.266210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.266210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.266210 (E_RNA) where: Base-Base interactions energy: -1317.021 where: short stacking energy: -568.608 Base-Backbone interact. energy: -3.705 local terms energy: -590.539483 where: bonds (distance) C4'-P energy: -112.817 bonds (distance) P-C4' energy: -101.660 flat angles C4'-P-C4' energy: -126.664 flat angles P-C4'-P energy: -77.191 tors. eta vs tors. theta energy: -172.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1778.044528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.044528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.044528 (E_RNA) where: Base-Base interactions energy: -1232.674 where: short stacking energy: -520.695 Base-Backbone interact. energy: -5.385 local terms energy: -539.986207 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -114.920 flat angles C4'-P-C4' energy: -114.414 flat angles P-C4'-P energy: -73.966 tors. eta vs tors. theta energy: -143.986 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: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1731.649154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.649154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.649154 (E_RNA) where: Base-Base interactions energy: -1176.450 where: short stacking energy: -465.967 Base-Backbone interact. energy: -3.202 local terms energy: -551.996343 where: bonds (distance) C4'-P energy: -103.030 bonds (distance) P-C4' energy: -114.738 flat angles C4'-P-C4' energy: -130.153 flat angles P-C4'-P energy: -71.402 tors. eta vs tors. theta energy: -132.673 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: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1533.393492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.393492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.393492 (E_RNA) where: Base-Base interactions energy: -1007.333 where: short stacking energy: -440.178 Base-Backbone interact. energy: -3.333 local terms energy: -522.727381 where: bonds (distance) C4'-P energy: -106.383 bonds (distance) P-C4' energy: -105.523 flat angles C4'-P-C4' energy: -108.669 flat angles P-C4'-P energy: -80.608 tors. eta vs tors. theta energy: -121.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1253.596907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.596907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.596907 (E_RNA) where: Base-Base interactions energy: -806.510 where: short stacking energy: -357.470 Base-Backbone interact. energy: 0.472 local terms energy: -447.558805 where: bonds (distance) C4'-P energy: -90.226 bonds (distance) P-C4' energy: -114.513 flat angles C4'-P-C4' energy: -96.788 flat angles P-C4'-P energy: -72.382 tors. eta vs tors. theta energy: -73.649 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: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1223.082934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.082934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.082934 (E_RNA) where: Base-Base interactions energy: -786.110 where: short stacking energy: -357.483 Base-Backbone interact. energy: -0.102 local terms energy: -436.870262 where: bonds (distance) C4'-P energy: -102.738 bonds (distance) P-C4' energy: -94.189 flat angles C4'-P-C4' energy: -106.783 flat angles P-C4'-P energy: -49.015 tors. eta vs tors. theta energy: -84.145 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: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -511.898129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.898129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.898129 (E_RNA) where: Base-Base interactions energy: -190.455 where: short stacking energy: -161.895 Base-Backbone interact. energy: -3.112 local terms energy: -318.331107 where: bonds (distance) C4'-P energy: -92.256 bonds (distance) P-C4' energy: -100.205 flat angles C4'-P-C4' energy: -101.766 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: 23.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -453.772728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.772728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.772728 (E_RNA) where: Base-Base interactions energy: -172.706 where: short stacking energy: -132.188 Base-Backbone interact. energy: 0.089 local terms energy: -281.155518 where: bonds (distance) C4'-P energy: -93.896 bonds (distance) P-C4' energy: -100.207 flat angles C4'-P-C4' energy: -76.300 flat angles P-C4'-P energy: -27.635 tors. eta vs tors. theta energy: 16.882 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: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2087.231844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.231844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.231844 (E_RNA) where: Base-Base interactions energy: -1443.467 where: short stacking energy: -606.965 Base-Backbone interact. energy: -1.178 local terms energy: -642.586556 where: bonds (distance) C4'-P energy: -101.848 bonds (distance) P-C4' energy: -124.451 flat angles C4'-P-C4' energy: -136.066 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -184.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2016.454657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.454657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.454657 (E_RNA) where: Base-Base interactions energy: -1370.969 where: short stacking energy: -566.674 Base-Backbone interact. energy: -4.358 local terms energy: -641.127118 where: bonds (distance) C4'-P energy: -110.016 bonds (distance) P-C4' energy: -120.536 flat angles C4'-P-C4' energy: -149.416 flat angles P-C4'-P energy: -89.491 tors. eta vs tors. theta energy: -171.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1976.605945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.605945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.605945 (E_RNA) where: Base-Base interactions energy: -1358.699 where: short stacking energy: -587.662 Base-Backbone interact. energy: 1.172 local terms energy: -619.079467 where: bonds (distance) C4'-P energy: -121.387 bonds (distance) P-C4' energy: -107.361 flat angles C4'-P-C4' energy: -129.511 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: -173.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1800.846439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.846439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.846439 (E_RNA) where: Base-Base interactions energy: -1238.650 where: short stacking energy: -498.437 Base-Backbone interact. energy: 0.999 local terms energy: -563.195618 where: bonds (distance) C4'-P energy: -117.820 bonds (distance) P-C4' energy: -115.029 flat angles C4'-P-C4' energy: -121.049 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -128.265 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: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1726.487017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.487017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.487017 (E_RNA) where: Base-Base interactions energy: -1183.479 where: short stacking energy: -495.318 Base-Backbone interact. energy: -1.546 local terms energy: -541.462394 where: bonds (distance) C4'-P energy: -99.550 bonds (distance) P-C4' energy: -112.589 flat angles C4'-P-C4' energy: -116.027 flat angles P-C4'-P energy: -80.160 tors. eta vs tors. theta energy: -133.137 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: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1484.241054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.241054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.241054 (E_RNA) where: Base-Base interactions energy: -964.329 where: short stacking energy: -394.239 Base-Backbone interact. energy: -2.764 local terms energy: -517.148437 where: bonds (distance) C4'-P energy: -108.740 bonds (distance) P-C4' energy: -116.959 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: -120.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1213.939335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.939335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.939335 (E_RNA) where: Base-Base interactions energy: -784.576 where: short stacking energy: -359.152 Base-Backbone interact. energy: -0.107 local terms energy: -429.256219 where: bonds (distance) C4'-P energy: -91.074 bonds (distance) P-C4' energy: -90.497 flat angles C4'-P-C4' energy: -109.284 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -74.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1207.321567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.321567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.321567 (E_RNA) where: Base-Base interactions energy: -765.099 where: short stacking energy: -341.850 Base-Backbone interact. energy: 1.143 local terms energy: -443.364666 where: bonds (distance) C4'-P energy: -100.392 bonds (distance) P-C4' energy: -102.978 flat angles C4'-P-C4' energy: -99.881 flat angles P-C4'-P energy: -51.179 tors. eta vs tors. theta energy: -88.934 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: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -494.569386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.569386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.569386 (E_RNA) where: Base-Base interactions energy: -168.988 where: short stacking energy: -136.322 Base-Backbone interact. energy: -1.999 local terms energy: -323.582021 where: bonds (distance) C4'-P energy: -97.898 bonds (distance) P-C4' energy: -113.776 flat angles C4'-P-C4' energy: -82.497 flat angles P-C4'-P energy: -43.724 tors. eta vs tors. theta energy: 14.314 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: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -481.968248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.968248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.968248 (E_RNA) where: Base-Base interactions energy: -185.838 where: short stacking energy: -112.660 Base-Backbone interact. energy: 3.720 local terms energy: -299.851111 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -103.034 flat angles C4'-P-C4' energy: -59.991 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: 34.252 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: 1, replica: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2093.841003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.841003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.841003 (E_RNA) where: Base-Base interactions energy: -1449.065 where: short stacking energy: -619.930 Base-Backbone interact. energy: -1.556 local terms energy: -643.219753 where: bonds (distance) C4'-P energy: -123.964 bonds (distance) P-C4' energy: -112.812 flat angles C4'-P-C4' energy: -136.011 flat angles P-C4'-P energy: -87.674 tors. eta vs tors. theta energy: -182.758 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: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2015.804072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.804072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.804072 (E_RNA) where: Base-Base interactions energy: -1390.800 where: short stacking energy: -570.824 Base-Backbone interact. energy: 0.206 local terms energy: -625.210054 where: bonds (distance) C4'-P energy: -112.732 bonds (distance) P-C4' energy: -135.175 flat angles C4'-P-C4' energy: -125.787 flat angles P-C4'-P energy: -89.568 tors. eta vs tors. theta energy: -161.948 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: 2 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1991.034157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.034157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.034157 (E_RNA) where: Base-Base interactions energy: -1387.576 where: short stacking energy: -570.368 Base-Backbone interact. energy: -2.089 local terms energy: -601.368510 where: bonds (distance) C4'-P energy: -117.902 bonds (distance) P-C4' energy: -104.722 flat angles C4'-P-C4' energy: -119.800 flat angles P-C4'-P energy: -86.561 tors. eta vs tors. theta energy: -172.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1823.647437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.647437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.647437 (E_RNA) where: Base-Base interactions energy: -1234.785 where: short stacking energy: -512.598 Base-Backbone interact. energy: -2.410 local terms energy: -586.452062 where: bonds (distance) C4'-P energy: -111.538 bonds (distance) P-C4' energy: -114.307 flat angles C4'-P-C4' energy: -131.724 flat angles P-C4'-P energy: -77.703 tors. eta vs tors. theta energy: -151.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1718.310787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.310787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.310787 (E_RNA) where: Base-Base interactions energy: -1169.863 where: short stacking energy: -510.266 Base-Backbone interact. energy: -3.485 local terms energy: -544.962512 where: bonds (distance) C4'-P energy: -99.430 bonds (distance) P-C4' energy: -115.853 flat angles C4'-P-C4' energy: -125.245 flat angles P-C4'-P energy: -71.026 tors. eta vs tors. theta energy: -133.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1439.281433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.281433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.281433 (E_RNA) where: Base-Base interactions energy: -938.483 where: short stacking energy: -402.864 Base-Backbone interact. energy: -2.036 local terms energy: -498.761892 where: bonds (distance) C4'-P energy: -95.838 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -111.083 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -123.052 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: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1228.882457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.882457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.882457 (E_RNA) where: Base-Base interactions energy: -780.913 where: short stacking energy: -349.597 Base-Backbone interact. energy: -3.678 local terms energy: -444.291487 where: bonds (distance) C4'-P energy: -90.292 bonds (distance) P-C4' energy: -99.273 flat angles C4'-P-C4' energy: -102.971 flat angles P-C4'-P energy: -75.672 tors. eta vs tors. theta energy: -76.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1170.651738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.651738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.651738 (E_RNA) where: Base-Base interactions energy: -722.574 where: short stacking energy: -328.723 Base-Backbone interact. energy: 4.640 local terms energy: -452.717923 where: bonds (distance) C4'-P energy: -100.257 bonds (distance) P-C4' energy: -107.592 flat angles C4'-P-C4' energy: -119.886 flat angles P-C4'-P energy: -52.765 tors. eta vs tors. theta energy: -72.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -491.258420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.258420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.258420 (E_RNA) where: Base-Base interactions energy: -194.868 where: short stacking energy: -143.976 Base-Backbone interact. energy: -1.640 local terms energy: -294.750130 where: bonds (distance) C4'-P energy: -99.050 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -93.492 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: 33.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -551.447157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.447157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.447157 (E_RNA) where: Base-Base interactions energy: -228.559 where: short stacking energy: -177.688 Base-Backbone interact. energy: 1.026 local terms energy: -323.913821 where: bonds (distance) C4'-P energy: -98.755 bonds (distance) P-C4' energy: -95.526 flat angles C4'-P-C4' energy: -89.525 flat angles P-C4'-P energy: -47.017 tors. eta vs tors. theta energy: 6.909 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: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2098.265283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.265283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.265283 (E_RNA) where: Base-Base interactions energy: -1442.225 where: short stacking energy: -631.810 Base-Backbone interact. energy: -0.727 local terms energy: -655.313945 where: bonds (distance) C4'-P energy: -110.523 bonds (distance) P-C4' energy: -121.267 flat angles C4'-P-C4' energy: -131.447 flat angles P-C4'-P energy: -103.590 tors. eta vs tors. theta energy: -188.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1997.351284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.351284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.351284 (E_RNA) where: Base-Base interactions energy: -1374.100 where: short stacking energy: -583.094 Base-Backbone interact. energy: -3.189 local terms energy: -620.061720 where: bonds (distance) C4'-P energy: -111.352 bonds (distance) P-C4' energy: -124.154 flat angles C4'-P-C4' energy: -124.863 flat angles P-C4'-P energy: -88.748 tors. eta vs tors. theta energy: -170.945 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: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1955.930402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.930402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.930402 (E_RNA) where: Base-Base interactions energy: -1353.622 where: short stacking energy: -571.925 Base-Backbone interact. energy: 5.244 local terms energy: -607.551961 where: bonds (distance) C4'-P energy: -103.977 bonds (distance) P-C4' energy: -111.460 flat angles C4'-P-C4' energy: -125.486 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -180.163 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: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1810.262250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.262250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.262250 (E_RNA) where: Base-Base interactions energy: -1242.005 where: short stacking energy: -535.025 Base-Backbone interact. energy: -0.342 local terms energy: -567.915618 where: bonds (distance) C4'-P energy: -101.095 bonds (distance) P-C4' energy: -91.833 flat angles C4'-P-C4' energy: -131.299 flat angles P-C4'-P energy: -83.556 tors. eta vs tors. theta energy: -160.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1728.902385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.902385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.902385 (E_RNA) where: Base-Base interactions energy: -1201.718 where: short stacking energy: -503.842 Base-Backbone interact. energy: -0.146 local terms energy: -527.038432 where: bonds (distance) C4'-P energy: -95.996 bonds (distance) P-C4' energy: -106.154 flat angles C4'-P-C4' energy: -121.052 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: -126.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1464.242047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.242047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.242047 (E_RNA) where: Base-Base interactions energy: -952.703 where: short stacking energy: -454.632 Base-Backbone interact. energy: -0.295 local terms energy: -511.243758 where: bonds (distance) C4'-P energy: -98.830 bonds (distance) P-C4' energy: -123.493 flat angles C4'-P-C4' energy: -108.158 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -125.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1221.980399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.980399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.980399 (E_RNA) where: Base-Base interactions energy: -768.504 where: short stacking energy: -347.333 Base-Backbone interact. energy: 2.443 local terms energy: -455.919031 where: bonds (distance) C4'-P energy: -103.280 bonds (distance) P-C4' energy: -116.171 flat angles C4'-P-C4' energy: -101.728 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -72.035 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: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1194.478615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.478615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.478615 (E_RNA) where: Base-Base interactions energy: -755.008 where: short stacking energy: -333.751 Base-Backbone interact. energy: 7.981 local terms energy: -447.452189 where: bonds (distance) C4'-P energy: -100.009 bonds (distance) P-C4' energy: -102.622 flat angles C4'-P-C4' energy: -101.055 flat angles P-C4'-P energy: -79.632 tors. eta vs tors. theta energy: -64.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -528.337220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.337220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.337220 (E_RNA) where: Base-Base interactions energy: -194.315 where: short stacking energy: -167.384 Base-Backbone interact. energy: -3.253 local terms energy: -330.768524 where: bonds (distance) C4'-P energy: -107.483 bonds (distance) P-C4' energy: -105.260 flat angles C4'-P-C4' energy: -70.639 flat angles P-C4'-P energy: -58.081 tors. eta vs tors. theta energy: 10.694 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: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -495.215083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.215083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.215083 (E_RNA) where: Base-Base interactions energy: -182.092 where: short stacking energy: -120.271 Base-Backbone interact. energy: 1.632 local terms energy: -314.754839 where: bonds (distance) C4'-P energy: -97.193 bonds (distance) P-C4' energy: -101.748 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -50.622 tors. eta vs tors. theta energy: 28.827 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: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2115.124767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.124767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.124767 (E_RNA) where: Base-Base interactions energy: -1450.941 where: short stacking energy: -613.997 Base-Backbone interact. energy: -4.064 local terms energy: -660.119161 where: bonds (distance) C4'-P energy: -126.242 bonds (distance) P-C4' energy: -109.457 flat angles C4'-P-C4' energy: -137.512 flat angles P-C4'-P energy: -98.644 tors. eta vs tors. theta energy: -188.264 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: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2026.659164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.659164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.659164 (E_RNA) where: Base-Base interactions energy: -1420.371 where: short stacking energy: -580.147 Base-Backbone interact. energy: -1.846 local terms energy: -604.441742 where: bonds (distance) C4'-P energy: -103.696 bonds (distance) P-C4' energy: -119.772 flat angles C4'-P-C4' energy: -130.412 flat angles P-C4'-P energy: -81.778 tors. eta vs tors. theta energy: -168.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1925.260444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.260444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.260444 (E_RNA) where: Base-Base interactions energy: -1332.835 where: short stacking energy: -529.818 Base-Backbone interact. energy: -3.321 local terms energy: -589.104862 where: bonds (distance) C4'-P energy: -110.753 bonds (distance) P-C4' energy: -101.141 flat angles C4'-P-C4' energy: -120.984 flat angles P-C4'-P energy: -88.404 tors. eta vs tors. theta energy: -167.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1784.079233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.079233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.079233 (E_RNA) where: Base-Base interactions energy: -1230.701 where: short stacking energy: -505.380 Base-Backbone interact. energy: -3.232 local terms energy: -550.146605 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -111.951 flat angles C4'-P-C4' energy: -118.397 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: -134.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1807.814636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.814636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.814636 (E_RNA) where: Base-Base interactions energy: -1273.879 where: short stacking energy: -501.735 Base-Backbone interact. energy: 4.712 local terms energy: -538.647325 where: bonds (distance) C4'-P energy: -100.849 bonds (distance) P-C4' energy: -116.075 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -77.917 tors. eta vs tors. theta energy: -131.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1473.216924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.216924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.216924 (E_RNA) where: Base-Base interactions energy: -989.579 where: short stacking energy: -436.223 Base-Backbone interact. energy: -0.434 local terms energy: -483.204782 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -109.961 flat angles C4'-P-C4' energy: -102.334 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -119.410 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: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1323.235114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.235114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.235114 (E_RNA) where: Base-Base interactions energy: -840.686 where: short stacking energy: -394.012 Base-Backbone interact. energy: -2.433 local terms energy: -480.116687 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -108.903 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: -85.264 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: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1149.545472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.545472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.545472 (E_RNA) where: Base-Base interactions energy: -725.509 where: short stacking energy: -330.850 Base-Backbone interact. energy: -2.079 local terms energy: -421.957613 where: bonds (distance) C4'-P energy: -98.986 bonds (distance) P-C4' energy: -96.500 flat angles C4'-P-C4' energy: -90.516 flat angles P-C4'-P energy: -63.486 tors. eta vs tors. theta energy: -72.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -592.011466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.011466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.011466 (E_RNA) where: Base-Base interactions energy: -253.793 where: short stacking energy: -187.655 Base-Backbone interact. energy: -2.664 local terms energy: -335.554489 where: bonds (distance) C4'-P energy: -95.273 bonds (distance) P-C4' energy: -97.551 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -55.760 tors. eta vs tors. theta energy: -9.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -487.098889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.098889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.098889 (E_RNA) where: Base-Base interactions energy: -187.854 where: short stacking energy: -133.697 Base-Backbone interact. energy: 4.501 local terms energy: -303.746157 where: bonds (distance) C4'-P energy: -84.697 bonds (distance) P-C4' energy: -105.545 flat angles C4'-P-C4' energy: -68.861 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: 18.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2076.927952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.927952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.927952 (E_RNA) where: Base-Base interactions energy: -1439.755 where: short stacking energy: -603.924 Base-Backbone interact. energy: -3.020 local terms energy: -634.152983 where: bonds (distance) C4'-P energy: -118.652 bonds (distance) P-C4' energy: -119.633 flat angles C4'-P-C4' energy: -128.939 flat angles P-C4'-P energy: -86.669 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: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2025.156513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.156513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.156513 (E_RNA) where: Base-Base interactions energy: -1414.563 where: short stacking energy: -573.649 Base-Backbone interact. energy: -1.996 local terms energy: -608.597906 where: bonds (distance) C4'-P energy: -109.144 bonds (distance) P-C4' energy: -120.926 flat angles C4'-P-C4' energy: -130.090 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -166.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1991.978477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.978477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.978477 (E_RNA) where: Base-Base interactions energy: -1359.483 where: short stacking energy: -561.442 Base-Backbone interact. energy: 3.013 local terms energy: -635.509322 where: bonds (distance) C4'-P energy: -109.394 bonds (distance) P-C4' energy: -119.969 flat angles C4'-P-C4' energy: -133.766 flat angles P-C4'-P energy: -89.483 tors. eta vs tors. theta energy: -182.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1819.370614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.370614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.370614 (E_RNA) where: Base-Base interactions energy: -1249.609 where: short stacking energy: -530.937 Base-Backbone interact. energy: -3.444 local terms energy: -566.317762 where: bonds (distance) C4'-P energy: -96.040 bonds (distance) P-C4' energy: -103.103 flat angles C4'-P-C4' energy: -119.964 flat angles P-C4'-P energy: -91.609 tors. eta vs tors. theta energy: -155.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1751.877166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.877166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.877166 (E_RNA) where: Base-Base interactions energy: -1249.069 where: short stacking energy: -499.112 Base-Backbone interact. energy: 2.160 local terms energy: -504.967722 where: bonds (distance) C4'-P energy: -92.349 bonds (distance) P-C4' energy: -93.200 flat angles C4'-P-C4' energy: -117.899 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -118.640 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: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1472.679804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.679804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.679804 (E_RNA) where: Base-Base interactions energy: -970.063 where: short stacking energy: -417.188 Base-Backbone interact. energy: -4.514 local terms energy: -498.102788 where: bonds (distance) C4'-P energy: -104.718 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -121.484 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: -102.383 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: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1280.788598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.788598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.788598 (E_RNA) where: Base-Base interactions energy: -807.106 where: short stacking energy: -384.814 Base-Backbone interact. energy: -2.630 local terms energy: -471.051698 where: bonds (distance) C4'-P energy: -86.588 bonds (distance) P-C4' energy: -113.008 flat angles C4'-P-C4' energy: -123.866 flat angles P-C4'-P energy: -56.028 tors. eta vs tors. theta energy: -91.561 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: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1150.448927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.448927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.448927 (E_RNA) where: Base-Base interactions energy: -707.870 where: short stacking energy: -321.128 Base-Backbone interact. energy: 0.331 local terms energy: -442.910437 where: bonds (distance) C4'-P energy: -104.886 bonds (distance) P-C4' energy: -111.836 flat angles C4'-P-C4' energy: -110.378 flat angles P-C4'-P energy: -41.840 tors. eta vs tors. theta energy: -73.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -577.990936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.990936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.990936 (E_RNA) where: Base-Base interactions energy: -269.902 where: short stacking energy: -165.511 Base-Backbone interact. energy: -3.122 local terms energy: -304.966582 where: bonds (distance) C4'-P energy: -92.354 bonds (distance) P-C4' energy: -87.733 flat angles C4'-P-C4' energy: -87.902 flat angles P-C4'-P energy: -42.367 tors. eta vs tors. theta energy: 5.390 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: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -445.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.068679 (E_RNA) where: Base-Base interactions energy: -170.160 where: short stacking energy: -133.568 Base-Backbone interact. energy: -1.326 local terms energy: -273.582925 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -80.365 flat angles C4'-P-C4' energy: -96.604 flat angles P-C4'-P energy: -26.662 tors. eta vs tors. theta energy: 26.321 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: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2082.278422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.278422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.278422 (E_RNA) where: Base-Base interactions energy: -1429.172 where: short stacking energy: -613.694 Base-Backbone interact. energy: -0.910 local terms energy: -652.197013 where: bonds (distance) C4'-P energy: -124.566 bonds (distance) P-C4' energy: -110.612 flat angles C4'-P-C4' energy: -130.846 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -187.363 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: 227 Temperature: 0.950000 Total energy: -2034.370238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.370238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.370238 (E_RNA) where: Base-Base interactions energy: -1409.307 where: short stacking energy: -575.413 Base-Backbone interact. energy: -4.667 local terms energy: -620.396217 where: bonds (distance) C4'-P energy: -109.147 bonds (distance) P-C4' energy: -118.791 flat angles C4'-P-C4' energy: -130.476 flat angles P-C4'-P energy: -85.108 tors. eta vs tors. theta energy: -176.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1952.321609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.321609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.321609 (E_RNA) where: Base-Base interactions energy: -1335.291 where: short stacking energy: -557.613 Base-Backbone interact. energy: 1.707 local terms energy: -618.737504 where: bonds (distance) C4'-P energy: -112.933 bonds (distance) P-C4' energy: -122.206 flat angles C4'-P-C4' energy: -134.681 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -170.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1840.298568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.298568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.298568 (E_RNA) where: Base-Base interactions energy: -1242.392 where: short stacking energy: -530.993 Base-Backbone interact. energy: -2.287 local terms energy: -595.619467 where: bonds (distance) C4'-P energy: -119.151 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -109.079 flat angles P-C4'-P energy: -84.539 tors. eta vs tors. theta energy: -156.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1766.134730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.134730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.134730 (E_RNA) where: Base-Base interactions energy: -1246.697 where: short stacking energy: -506.654 Base-Backbone interact. energy: -3.566 local terms energy: -515.872077 where: bonds (distance) C4'-P energy: -98.068 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -110.059 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -125.399 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: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1460.918921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.918921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.918921 (E_RNA) where: Base-Base interactions energy: -968.135 where: short stacking energy: -438.477 Base-Backbone interact. energy: -3.070 local terms energy: -489.714017 where: bonds (distance) C4'-P energy: -102.706 bonds (distance) P-C4' energy: -90.259 flat angles C4'-P-C4' energy: -133.804 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -96.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1277.561316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.561316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.561316 (E_RNA) where: Base-Base interactions energy: -808.560 where: short stacking energy: -373.199 Base-Backbone interact. energy: 0.393 local terms energy: -469.394059 where: bonds (distance) C4'-P energy: -103.425 bonds (distance) P-C4' energy: -98.697 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -65.537 tors. eta vs tors. theta energy: -88.931 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: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1109.799862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.799862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.799862 (E_RNA) where: Base-Base interactions energy: -713.068 where: short stacking energy: -336.372 Base-Backbone interact. energy: -0.516 local terms energy: -396.216192 where: bonds (distance) C4'-P energy: -84.837 bonds (distance) P-C4' energy: -103.242 flat angles C4'-P-C4' energy: -98.281 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -62.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -560.544253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.544253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.544253 (E_RNA) where: Base-Base interactions energy: -219.809 where: short stacking energy: -145.938 Base-Backbone interact. energy: -2.155 local terms energy: -338.579843 where: bonds (distance) C4'-P energy: -103.394 bonds (distance) P-C4' energy: -119.387 flat angles C4'-P-C4' energy: -84.299 flat angles P-C4'-P energy: -40.553 tors. eta vs tors. theta energy: 9.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -474.494762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.494762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.494762 (E_RNA) where: Base-Base interactions energy: -174.898 where: short stacking energy: -117.591 Base-Backbone interact. energy: -0.457 local terms energy: -299.140282 where: bonds (distance) C4'-P energy: -100.927 bonds (distance) P-C4' energy: -109.158 flat angles C4'-P-C4' energy: -83.399 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: 34.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2086.705512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.705512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.705512 (E_RNA) where: Base-Base interactions energy: -1441.468 where: short stacking energy: -589.739 Base-Backbone interact. energy: -3.044 local terms energy: -642.193174 where: bonds (distance) C4'-P energy: -109.293 bonds (distance) P-C4' energy: -131.270 flat angles C4'-P-C4' energy: -125.809 flat angles P-C4'-P energy: -92.455 tors. eta vs tors. theta energy: -183.367 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: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2016.428078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.428078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.428078 (E_RNA) where: Base-Base interactions energy: -1392.757 where: short stacking energy: -602.589 Base-Backbone interact. energy: -1.926 local terms energy: -621.744410 where: bonds (distance) C4'-P energy: -104.972 bonds (distance) P-C4' energy: -120.644 flat angles C4'-P-C4' energy: -135.239 flat angles P-C4'-P energy: -83.174 tors. eta vs tors. theta energy: -177.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1937.135663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.135663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.135663 (E_RNA) where: Base-Base interactions energy: -1342.702 where: short stacking energy: -559.798 Base-Backbone interact. energy: -1.324 local terms energy: -593.110138 where: bonds (distance) C4'-P energy: -108.309 bonds (distance) P-C4' energy: -113.000 flat angles C4'-P-C4' energy: -131.562 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -167.407 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: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1845.857737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.857737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.857737 (E_RNA) where: Base-Base interactions energy: -1241.749 where: short stacking energy: -513.016 Base-Backbone interact. energy: -2.261 local terms energy: -601.847852 where: bonds (distance) C4'-P energy: -106.970 bonds (distance) P-C4' energy: -124.859 flat angles C4'-P-C4' energy: -128.364 flat angles P-C4'-P energy: -89.093 tors. eta vs tors. theta energy: -152.562 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: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1739.770024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.770024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.770024 (E_RNA) where: Base-Base interactions energy: -1207.910 where: short stacking energy: -502.210 Base-Backbone interact. energy: -4.792 local terms energy: -527.068312 where: bonds (distance) C4'-P energy: -97.998 bonds (distance) P-C4' energy: -103.480 flat angles C4'-P-C4' energy: -121.654 flat angles P-C4'-P energy: -61.563 tors. eta vs tors. theta energy: -142.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1454.028684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.028684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.028684 (E_RNA) where: Base-Base interactions energy: -990.312 where: short stacking energy: -433.182 Base-Backbone interact. energy: -3.355 local terms energy: -460.361916 where: bonds (distance) C4'-P energy: -96.688 bonds (distance) P-C4' energy: -94.827 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -103.616 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: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1282.251222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.251222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.251222 (E_RNA) where: Base-Base interactions energy: -805.863 where: short stacking energy: -373.029 Base-Backbone interact. energy: 1.595 local terms energy: -477.983247 where: bonds (distance) C4'-P energy: -103.845 bonds (distance) P-C4' energy: -109.881 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -63.820 tors. eta vs tors. theta energy: -95.114 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: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1169.275871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.275871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.275871 (E_RNA) where: Base-Base interactions energy: -735.031 where: short stacking energy: -324.001 Base-Backbone interact. energy: -0.172 local terms energy: -434.073495 where: bonds (distance) C4'-P energy: -87.930 bonds (distance) P-C4' energy: -121.642 flat angles C4'-P-C4' energy: -111.605 flat angles P-C4'-P energy: -58.240 tors. eta vs tors. theta energy: -54.656 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: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -626.703139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.703139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.703139 (E_RNA) where: Base-Base interactions energy: -274.915 where: short stacking energy: -159.487 Base-Backbone interact. energy: -0.888 local terms energy: -350.899835 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -99.607 flat angles C4'-P-C4' energy: -94.722 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: -9.407 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -448.067583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.067583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.067583 (E_RNA) where: Base-Base interactions energy: -154.981 where: short stacking energy: -123.084 Base-Backbone interact. energy: 0.430 local terms energy: -293.516043 where: bonds (distance) C4'-P energy: -93.485 bonds (distance) P-C4' energy: -101.433 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -48.742 tors. eta vs tors. theta energy: 31.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2067.401445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.401445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.401445 (E_RNA) where: Base-Base interactions energy: -1413.896 where: short stacking energy: -602.122 Base-Backbone interact. energy: -2.823 local terms energy: -650.682405 where: bonds (distance) C4'-P energy: -125.528 bonds (distance) P-C4' energy: -127.770 flat angles C4'-P-C4' energy: -132.418 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -178.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2016.029244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.029244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.029244 (E_RNA) where: Base-Base interactions energy: -1377.032 where: short stacking energy: -616.789 Base-Backbone interact. energy: -1.029 local terms energy: -637.968714 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -117.100 flat angles C4'-P-C4' energy: -136.639 flat angles P-C4'-P energy: -91.033 tors. eta vs tors. theta energy: -175.853 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: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1936.904436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.904436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.904436 (E_RNA) where: Base-Base interactions energy: -1341.485 where: short stacking energy: -570.107 Base-Backbone interact. energy: 0.734 local terms energy: -596.153392 where: bonds (distance) C4'-P energy: -105.639 bonds (distance) P-C4' energy: -119.013 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -76.279 tors. eta vs tors. theta energy: -170.289 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: 4, replica: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1849.593015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.593015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.593015 (E_RNA) where: Base-Base interactions energy: -1281.532 where: short stacking energy: -528.296 Base-Backbone interact. energy: 1.359 local terms energy: -569.420584 where: bonds (distance) C4'-P energy: -102.310 bonds (distance) P-C4' energy: -110.349 flat angles C4'-P-C4' energy: -127.303 flat angles P-C4'-P energy: -80.824 tors. eta vs tors. theta energy: -148.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1789.876306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.876306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.876306 (E_RNA) where: Base-Base interactions energy: -1254.354 where: short stacking energy: -503.576 Base-Backbone interact. energy: -1.100 local terms energy: -534.421964 where: bonds (distance) C4'-P energy: -97.469 bonds (distance) P-C4' energy: -109.694 flat angles C4'-P-C4' energy: -118.945 flat angles P-C4'-P energy: -80.272 tors. eta vs tors. theta energy: -128.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1434.397742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.397742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.397742 (E_RNA) where: Base-Base interactions energy: -937.020 where: short stacking energy: -382.986 Base-Backbone interact. energy: -2.570 local terms energy: -494.807359 where: bonds (distance) C4'-P energy: -97.858 bonds (distance) P-C4' energy: -103.063 flat angles C4'-P-C4' energy: -112.039 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -110.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1240.176134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.176134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.176134 (E_RNA) where: Base-Base interactions energy: -785.457 where: short stacking energy: -349.301 Base-Backbone interact. energy: -1.174 local terms energy: -453.545194 where: bonds (distance) C4'-P energy: -105.353 bonds (distance) P-C4' energy: -108.275 flat angles C4'-P-C4' energy: -90.839 flat angles P-C4'-P energy: -79.391 tors. eta vs tors. theta energy: -69.688 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: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1181.865824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.865824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.865824 (E_RNA) where: Base-Base interactions energy: -747.202 where: short stacking energy: -354.334 Base-Backbone interact. energy: 0.386 local terms energy: -435.049940 where: bonds (distance) C4'-P energy: -95.733 bonds (distance) P-C4' energy: -113.590 flat angles C4'-P-C4' energy: -86.175 flat angles P-C4'-P energy: -65.957 tors. eta vs tors. theta energy: -73.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -617.036524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.036524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.036524 (E_RNA) where: Base-Base interactions energy: -276.580 where: short stacking energy: -165.358 Base-Backbone interact. energy: -2.211 local terms energy: -338.244711 where: bonds (distance) C4'-P energy: -101.000 bonds (distance) P-C4' energy: -103.660 flat angles C4'-P-C4' energy: -94.240 flat angles P-C4'-P energy: -54.247 tors. eta vs tors. theta energy: 14.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -500.460232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.460232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.460232 (E_RNA) where: Base-Base interactions energy: -173.662 where: short stacking energy: -142.222 Base-Backbone interact. energy: 1.959 local terms energy: -328.757081 where: bonds (distance) C4'-P energy: -89.000 bonds (distance) P-C4' energy: -107.175 flat angles C4'-P-C4' energy: -77.639 flat angles P-C4'-P energy: -54.835 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2068.285993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.285993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.285993 (E_RNA) where: Base-Base interactions energy: -1409.242 where: short stacking energy: -607.560 Base-Backbone interact. energy: -6.955 local terms energy: -652.088745 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -129.340 flat angles C4'-P-C4' energy: -130.180 flat angles P-C4'-P energy: -93.972 tors. eta vs tors. theta energy: -181.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2011.909839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.909839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.909839 (E_RNA) where: Base-Base interactions energy: -1396.844 where: short stacking energy: -634.997 Base-Backbone interact. energy: -1.130 local terms energy: -613.936407 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -109.493 flat angles C4'-P-C4' energy: -126.142 flat angles P-C4'-P energy: -89.542 tors. eta vs tors. theta energy: -175.807 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: 3, replica: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1983.162032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.162032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.162032 (E_RNA) where: Base-Base interactions energy: -1362.599 where: short stacking energy: -592.426 Base-Backbone interact. energy: -2.142 local terms energy: -618.420719 where: bonds (distance) C4'-P energy: -92.879 bonds (distance) P-C4' energy: -116.008 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -182.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1856.008663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.008663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.008663 (E_RNA) where: Base-Base interactions energy: -1273.416 where: short stacking energy: -527.712 Base-Backbone interact. energy: -3.391 local terms energy: -579.200863 where: bonds (distance) C4'-P energy: -111.466 bonds (distance) P-C4' energy: -114.952 flat angles C4'-P-C4' energy: -120.514 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -159.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1752.356102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.356102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.356102 (E_RNA) where: Base-Base interactions energy: -1207.954 where: short stacking energy: -485.012 Base-Backbone interact. energy: -3.194 local terms energy: -541.208484 where: bonds (distance) C4'-P energy: -102.928 bonds (distance) P-C4' energy: -119.978 flat angles C4'-P-C4' energy: -114.535 flat angles P-C4'-P energy: -77.517 tors. eta vs tors. theta energy: -126.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1438.396316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.396316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.396316 (E_RNA) where: Base-Base interactions energy: -961.958 where: short stacking energy: -394.006 Base-Backbone interact. energy: 0.280 local terms energy: -476.718429 where: bonds (distance) C4'-P energy: -94.642 bonds (distance) P-C4' energy: -104.151 flat angles C4'-P-C4' energy: -108.011 flat angles P-C4'-P energy: -66.691 tors. eta vs tors. theta energy: -103.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1288.688555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.688555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.688555 (E_RNA) where: Base-Base interactions energy: -841.875 where: short stacking energy: -362.783 Base-Backbone interact. energy: -2.061 local terms energy: -444.752628 where: bonds (distance) C4'-P energy: -102.861 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -71.219 tors. eta vs tors. theta energy: -83.309 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: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1139.576873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.576873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.576873 (E_RNA) where: Base-Base interactions energy: -740.579 where: short stacking energy: -331.659 Base-Backbone interact. energy: -2.270 local terms energy: -396.727819 where: bonds (distance) C4'-P energy: -81.095 bonds (distance) P-C4' energy: -89.191 flat angles C4'-P-C4' energy: -93.566 flat angles P-C4'-P energy: -72.677 tors. eta vs tors. theta energy: -60.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -527.399057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.399057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.399057 (E_RNA) where: Base-Base interactions energy: -222.624 where: short stacking energy: -154.138 Base-Backbone interact. energy: 1.872 local terms energy: -306.646901 where: bonds (distance) C4'-P energy: -90.665 bonds (distance) P-C4' energy: -104.830 flat angles C4'-P-C4' energy: -80.357 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: 25.330 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: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -564.384288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.384288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.384288 (E_RNA) where: Base-Base interactions energy: -251.236 where: short stacking energy: -170.467 Base-Backbone interact. energy: -2.872 local terms energy: -310.276169 where: bonds (distance) C4'-P energy: -81.827 bonds (distance) P-C4' energy: -96.992 flat angles C4'-P-C4' energy: -91.353 flat angles P-C4'-P energy: -51.334 tors. eta vs tors. theta energy: 11.229 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2046.755132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.755132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.755132 (E_RNA) where: Base-Base interactions energy: -1412.675 where: short stacking energy: -602.747 Base-Backbone interact. energy: 1.339 local terms energy: -635.419431 where: bonds (distance) C4'-P energy: -107.478 bonds (distance) P-C4' energy: -127.956 flat angles C4'-P-C4' energy: -134.786 flat angles P-C4'-P energy: -94.500 tors. eta vs tors. theta energy: -170.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2005.796307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.796307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.796307 (E_RNA) where: Base-Base interactions energy: -1385.402 where: short stacking energy: -610.654 Base-Backbone interact. energy: -3.540 local terms energy: -616.854213 where: bonds (distance) C4'-P energy: -102.567 bonds (distance) P-C4' energy: -119.787 flat angles C4'-P-C4' energy: -131.964 flat angles P-C4'-P energy: -86.798 tors. eta vs tors. theta energy: -175.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1946.089293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.089293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.089293 (E_RNA) where: Base-Base interactions energy: -1330.299 where: short stacking energy: -579.853 Base-Backbone interact. energy: -2.765 local terms energy: -613.025661 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -123.302 flat angles C4'-P-C4' energy: -120.596 flat angles P-C4'-P energy: -90.916 tors. eta vs tors. theta energy: -180.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1845.379851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.379851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.379851 (E_RNA) where: Base-Base interactions energy: -1257.656 where: short stacking energy: -509.727 Base-Backbone interact. energy: -0.717 local terms energy: -587.007263 where: bonds (distance) C4'-P energy: -99.158 bonds (distance) P-C4' energy: -119.398 flat angles C4'-P-C4' energy: -128.784 flat angles P-C4'-P energy: -87.464 tors. eta vs tors. theta energy: -152.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1798.284248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.284248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.284248 (E_RNA) where: Base-Base interactions energy: -1261.615 where: short stacking energy: -510.911 Base-Backbone interact. energy: 4.360 local terms energy: -541.029081 where: bonds (distance) C4'-P energy: -110.512 bonds (distance) P-C4' energy: -101.454 flat angles C4'-P-C4' energy: -114.423 flat angles P-C4'-P energy: -78.298 tors. eta vs tors. theta energy: -136.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1459.242449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.242449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.242449 (E_RNA) where: Base-Base interactions energy: -970.122 where: short stacking energy: -384.531 Base-Backbone interact. energy: -3.051 local terms energy: -486.069426 where: bonds (distance) C4'-P energy: -99.739 bonds (distance) P-C4' energy: -111.297 flat angles C4'-P-C4' energy: -107.229 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -92.853 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: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1273.528653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.528653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.528653 (E_RNA) where: Base-Base interactions energy: -843.268 where: short stacking energy: -373.333 Base-Backbone interact. energy: -2.693 local terms energy: -427.567303 where: bonds (distance) C4'-P energy: -82.746 bonds (distance) P-C4' energy: -115.260 flat angles C4'-P-C4' energy: -97.909 flat angles P-C4'-P energy: -54.612 tors. eta vs tors. theta energy: -77.040 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: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1151.647147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.647147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.647147 (E_RNA) where: Base-Base interactions energy: -743.341 where: short stacking energy: -317.804 Base-Backbone interact. energy: 2.343 local terms energy: -410.648724 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -88.741 flat angles C4'-P-C4' energy: -108.969 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -53.236 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: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -497.511383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.511383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.511383 (E_RNA) where: Base-Base interactions energy: -170.389 where: short stacking energy: -137.519 Base-Backbone interact. energy: 3.169 local terms energy: -330.291326 where: bonds (distance) C4'-P energy: -111.819 bonds (distance) P-C4' energy: -94.035 flat angles C4'-P-C4' energy: -86.657 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: 8.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -573.926896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.926896 (E_RNA) where: Base-Base interactions energy: -284.695 where: short stacking energy: -186.235 Base-Backbone interact. energy: 0.977 local terms energy: -290.209437 where: bonds (distance) C4'-P energy: -84.067 bonds (distance) P-C4' energy: -92.203 flat angles C4'-P-C4' energy: -84.527 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: 10.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2074.959739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.959739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.959739 (E_RNA) where: Base-Base interactions energy: -1428.437 where: short stacking energy: -592.306 Base-Backbone interact. energy: -1.910 local terms energy: -644.612892 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -119.230 flat angles C4'-P-C4' energy: -131.602 flat angles P-C4'-P energy: -85.909 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: 2, replica: 8 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2023.364403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.364403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.364403 (E_RNA) where: Base-Base interactions energy: -1390.566 where: short stacking energy: -597.398 Base-Backbone interact. energy: -1.646 local terms energy: -631.152813 where: bonds (distance) C4'-P energy: -110.193 bonds (distance) P-C4' energy: -121.031 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -95.531 tors. eta vs tors. theta energy: -168.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1944.607793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.607793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.607793 (E_RNA) where: Base-Base interactions energy: -1375.072 where: short stacking energy: -567.042 Base-Backbone interact. energy: -1.808 local terms energy: -567.727732 where: bonds (distance) C4'-P energy: -105.221 bonds (distance) P-C4' energy: -101.210 flat angles C4'-P-C4' energy: -115.441 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: -166.767 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: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1839.615822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.615822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.615822 (E_RNA) where: Base-Base interactions energy: -1266.389 where: short stacking energy: -510.347 Base-Backbone interact. energy: -0.251 local terms energy: -572.975793 where: bonds (distance) C4'-P energy: -113.936 bonds (distance) P-C4' energy: -110.534 flat angles C4'-P-C4' energy: -120.792 flat angles P-C4'-P energy: -84.054 tors. eta vs tors. theta energy: -143.659 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: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1789.082373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.082373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.082373 (E_RNA) where: Base-Base interactions energy: -1262.808 where: short stacking energy: -510.481 Base-Backbone interact. energy: -0.937 local terms energy: -525.337081 where: bonds (distance) C4'-P energy: -95.355 bonds (distance) P-C4' energy: -103.970 flat angles C4'-P-C4' energy: -111.246 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -141.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1465.182939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.182939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.182939 (E_RNA) where: Base-Base interactions energy: -977.103 where: short stacking energy: -392.203 Base-Backbone interact. energy: -1.941 local terms energy: -486.138655 where: bonds (distance) C4'-P energy: -102.351 bonds (distance) P-C4' energy: -114.071 flat angles C4'-P-C4' energy: -109.219 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: -97.890 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: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1282.514571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.514571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.514571 (E_RNA) where: Base-Base interactions energy: -790.027 where: short stacking energy: -347.233 Base-Backbone interact. energy: -1.374 local terms energy: -491.113681 where: bonds (distance) C4'-P energy: -106.008 bonds (distance) P-C4' energy: -103.519 flat angles C4'-P-C4' energy: -118.488 flat angles P-C4'-P energy: -69.160 tors. eta vs tors. theta energy: -93.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1168.489078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.489078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.489078 (E_RNA) where: Base-Base interactions energy: -719.033 where: short stacking energy: -321.617 Base-Backbone interact. energy: -1.620 local terms energy: -447.835752 where: bonds (distance) C4'-P energy: -93.390 bonds (distance) P-C4' energy: -99.830 flat angles C4'-P-C4' energy: -112.239 flat angles P-C4'-P energy: -70.535 tors. eta vs tors. theta energy: -71.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -639.063038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.063038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.063038 (E_RNA) where: Base-Base interactions energy: -311.247 where: short stacking energy: -187.173 Base-Backbone interact. energy: 1.742 local terms energy: -329.558436 where: bonds (distance) C4'-P energy: -107.427 bonds (distance) P-C4' energy: -91.349 flat angles C4'-P-C4' energy: -74.404 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -10.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -483.995845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.995845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.995845 (E_RNA) where: Base-Base interactions energy: -204.386 where: short stacking energy: -161.286 Base-Backbone interact. energy: 0.845 local terms energy: -280.454707 where: bonds (distance) C4'-P energy: -89.716 bonds (distance) P-C4' energy: -87.418 flat angles C4'-P-C4' energy: -80.038 flat angles P-C4'-P energy: -32.033 tors. eta vs tors. theta energy: 8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2099.596257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.596257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.596257 (E_RNA) where: Base-Base interactions energy: -1440.295 where: short stacking energy: -610.974 Base-Backbone interact. energy: 1.363 local terms energy: -660.663925 where: bonds (distance) C4'-P energy: -114.348 bonds (distance) P-C4' energy: -122.625 flat angles C4'-P-C4' energy: -143.726 flat angles P-C4'-P energy: -90.938 tors. eta vs tors. theta energy: -189.026 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: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2006.842566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.842566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.842566 (E_RNA) where: Base-Base interactions energy: -1391.536 where: short stacking energy: -574.206 Base-Backbone interact. energy: -4.771 local terms energy: -610.536312 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -181.369 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: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1967.956444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.956444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.956444 (E_RNA) where: Base-Base interactions energy: -1353.289 where: short stacking energy: -568.430 Base-Backbone interact. energy: -1.344 local terms energy: -613.323194 where: bonds (distance) C4'-P energy: -112.207 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -123.532 flat angles P-C4'-P energy: -89.081 tors. eta vs tors. theta energy: -172.462 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: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1843.679736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.679736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.679736 (E_RNA) where: Base-Base interactions energy: -1304.468 where: short stacking energy: -505.032 Base-Backbone interact. energy: -1.079 local terms energy: -538.132935 where: bonds (distance) C4'-P energy: -93.961 bonds (distance) P-C4' energy: -116.017 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -64.383 tors. eta vs tors. theta energy: -138.827 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: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1744.559569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.559569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.559569 (E_RNA) where: Base-Base interactions energy: -1200.380 where: short stacking energy: -509.360 Base-Backbone interact. energy: -2.146 local terms energy: -542.033061 where: bonds (distance) C4'-P energy: -112.834 bonds (distance) P-C4' energy: -102.965 flat angles C4'-P-C4' energy: -119.960 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -138.819 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: 6, replica: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1484.518958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.518958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.518958 (E_RNA) where: Base-Base interactions energy: -971.131 where: short stacking energy: -402.508 Base-Backbone interact. energy: -3.494 local terms energy: -509.894365 where: bonds (distance) C4'-P energy: -94.156 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -111.962 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -113.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1310.733901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.733901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.733901 (E_RNA) where: Base-Base interactions energy: -853.508 where: short stacking energy: -375.075 Base-Backbone interact. energy: -3.013 local terms energy: -454.212217 where: bonds (distance) C4'-P energy: -97.054 bonds (distance) P-C4' energy: -100.695 flat angles C4'-P-C4' energy: -116.841 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: -79.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1179.802169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.802169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.802169 (E_RNA) where: Base-Base interactions energy: -756.635 where: short stacking energy: -331.492 Base-Backbone interact. energy: -4.502 local terms energy: -418.665135 where: bonds (distance) C4'-P energy: -93.527 bonds (distance) P-C4' energy: -89.542 flat angles C4'-P-C4' energy: -99.698 flat angles P-C4'-P energy: -67.475 tors. eta vs tors. theta energy: -68.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -608.692421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.692421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.692421 (E_RNA) where: Base-Base interactions energy: -316.297 where: short stacking energy: -173.425 Base-Backbone interact. energy: -0.994 local terms energy: -291.401471 where: bonds (distance) C4'-P energy: -79.406 bonds (distance) P-C4' energy: -95.525 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -29.141 tors. eta vs tors. theta energy: 1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -468.092681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.092681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.092681 (E_RNA) where: Base-Base interactions energy: -150.996 where: short stacking energy: -109.336 Base-Backbone interact. energy: 0.846 local terms energy: -317.942074 where: bonds (distance) C4'-P energy: -112.367 bonds (distance) P-C4' energy: -103.576 flat angles C4'-P-C4' energy: -70.379 flat angles P-C4'-P energy: -59.973 tors. eta vs tors. theta energy: 28.353 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2096.018446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.018446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.018446 (E_RNA) where: Base-Base interactions energy: -1461.665 where: short stacking energy: -606.131 Base-Backbone interact. energy: -2.674 local terms energy: -631.679856 where: bonds (distance) C4'-P energy: -108.454 bonds (distance) P-C4' energy: -120.927 flat angles C4'-P-C4' energy: -142.112 flat angles P-C4'-P energy: -79.923 tors. eta vs tors. theta energy: -180.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1999.535869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.535869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.535869 (E_RNA) where: Base-Base interactions energy: -1396.397 where: short stacking energy: -581.937 Base-Backbone interact. energy: -1.474 local terms energy: -601.664562 where: bonds (distance) C4'-P energy: -101.439 bonds (distance) P-C4' energy: -115.531 flat angles C4'-P-C4' energy: -129.490 flat angles P-C4'-P energy: -76.682 tors. eta vs tors. theta energy: -178.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1935.930847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.930847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.930847 (E_RNA) where: Base-Base interactions energy: -1340.168 where: short stacking energy: -604.912 Base-Backbone interact. energy: -3.061 local terms energy: -592.701949 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -107.192 flat angles C4'-P-C4' energy: -128.449 flat angles P-C4'-P energy: -91.673 tors. eta vs tors. theta energy: -169.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1859.312133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.312133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.312133 (E_RNA) where: Base-Base interactions energy: -1296.676 where: short stacking energy: -532.724 Base-Backbone interact. energy: -4.013 local terms energy: -558.623356 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -97.856 flat angles C4'-P-C4' energy: -120.199 flat angles P-C4'-P energy: -95.187 tors. eta vs tors. theta energy: -141.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1742.298967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.298967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.298967 (E_RNA) where: Base-Base interactions energy: -1196.768 where: short stacking energy: -492.564 Base-Backbone interact. energy: -0.644 local terms energy: -544.886663 where: bonds (distance) C4'-P energy: -106.605 bonds (distance) P-C4' energy: -110.688 flat angles C4'-P-C4' energy: -114.251 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -139.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1503.490939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.490939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.490939 (E_RNA) where: Base-Base interactions energy: -1000.279 where: short stacking energy: -434.295 Base-Backbone interact. energy: 1.343 local terms energy: -504.554731 where: bonds (distance) C4'-P energy: -92.385 bonds (distance) P-C4' energy: -117.152 flat angles C4'-P-C4' energy: -111.060 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -107.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1350.469036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.469036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.469036 (E_RNA) where: Base-Base interactions energy: -893.456 where: short stacking energy: -390.112 Base-Backbone interact. energy: -3.632 local terms energy: -453.381141 where: bonds (distance) C4'-P energy: -98.329 bonds (distance) P-C4' energy: -87.540 flat angles C4'-P-C4' energy: -110.971 flat angles P-C4'-P energy: -64.727 tors. eta vs tors. theta energy: -91.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1154.549682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.549682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.549682 (E_RNA) where: Base-Base interactions energy: -758.904 where: short stacking energy: -338.264 Base-Backbone interact. energy: -2.291 local terms energy: -393.354584 where: bonds (distance) C4'-P energy: -105.408 bonds (distance) P-C4' energy: -94.705 flat angles C4'-P-C4' energy: -92.319 flat angles P-C4'-P energy: -37.688 tors. eta vs tors. theta energy: -63.234 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: 9, replica: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -631.555519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.555519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.555519 (E_RNA) where: Base-Base interactions energy: -311.266 where: short stacking energy: -198.987 Base-Backbone interact. energy: 4.200 local terms energy: -324.488744 where: bonds (distance) C4'-P energy: -107.322 bonds (distance) P-C4' energy: -98.664 flat angles C4'-P-C4' energy: -83.069 flat angles P-C4'-P energy: -38.789 tors. eta vs tors. theta energy: 3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -513.365085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.365085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.365085 (E_RNA) where: Base-Base interactions energy: -195.191 where: short stacking energy: -157.251 Base-Backbone interact. energy: -2.843 local terms energy: -315.331277 where: bonds (distance) C4'-P energy: -86.036 bonds (distance) P-C4' energy: -92.883 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: 7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2101.157421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.157421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.157421 (E_RNA) where: Base-Base interactions energy: -1451.133 where: short stacking energy: -610.410 Base-Backbone interact. energy: -0.384 local terms energy: -649.640887 where: bonds (distance) C4'-P energy: -123.126 bonds (distance) P-C4' energy: -118.579 flat angles C4'-P-C4' energy: -138.282 flat angles P-C4'-P energy: -92.778 tors. eta vs tors. theta energy: -176.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2020.612224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.612224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.612224 (E_RNA) where: Base-Base interactions energy: -1377.901 where: short stacking energy: -590.848 Base-Backbone interact. energy: -6.386 local terms energy: -636.325427 where: bonds (distance) C4'-P energy: -108.642 bonds (distance) P-C4' energy: -115.192 flat angles C4'-P-C4' energy: -141.099 flat angles P-C4'-P energy: -91.895 tors. eta vs tors. theta energy: -179.498 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: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1955.856686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.856686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.856686 (E_RNA) where: Base-Base interactions energy: -1330.170 where: short stacking energy: -569.186 Base-Backbone interact. energy: -3.710 local terms energy: -621.976197 where: bonds (distance) C4'-P energy: -119.965 bonds (distance) P-C4' energy: -106.876 flat angles C4'-P-C4' energy: -132.068 flat angles P-C4'-P energy: -85.959 tors. eta vs tors. theta energy: -177.107 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1851.362798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.362798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.362798 (E_RNA) where: Base-Base interactions energy: -1283.036 where: short stacking energy: -537.446 Base-Backbone interact. energy: -1.409 local terms energy: -566.917122 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -124.201 flat angles C4'-P-C4' energy: -123.136 flat angles P-C4'-P energy: -71.337 tors. eta vs tors. theta energy: -149.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1771.473904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.473904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.473904 (E_RNA) where: Base-Base interactions energy: -1225.327 where: short stacking energy: -521.253 Base-Backbone interact. energy: -0.228 local terms energy: -545.918993 where: bonds (distance) C4'-P energy: -100.412 bonds (distance) P-C4' energy: -100.467 flat angles C4'-P-C4' energy: -124.047 flat angles P-C4'-P energy: -75.306 tors. eta vs tors. theta energy: -145.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1508.180723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.180723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.180723 (E_RNA) where: Base-Base interactions energy: -980.053 where: short stacking energy: -436.692 Base-Backbone interact. energy: -1.647 local terms energy: -526.480768 where: bonds (distance) C4'-P energy: -104.029 bonds (distance) P-C4' energy: -106.010 flat angles C4'-P-C4' energy: -116.333 flat angles P-C4'-P energy: -76.149 tors. eta vs tors. theta energy: -123.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1390.201061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.201061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.201061 (E_RNA) where: Base-Base interactions energy: -910.362 where: short stacking energy: -398.060 Base-Backbone interact. energy: -0.126 local terms energy: -479.713523 where: bonds (distance) C4'-P energy: -103.700 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -103.881 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -92.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1138.059316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.059316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.059316 (E_RNA) where: Base-Base interactions energy: -735.945 where: short stacking energy: -338.174 Base-Backbone interact. energy: -2.312 local terms energy: -399.802343 where: bonds (distance) C4'-P energy: -92.736 bonds (distance) P-C4' energy: -76.800 flat angles C4'-P-C4' energy: -113.797 flat angles P-C4'-P energy: -56.649 tors. eta vs tors. theta energy: -59.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -595.814815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.814815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.814815 (E_RNA) where: Base-Base interactions energy: -263.687 where: short stacking energy: -157.124 Base-Backbone interact. energy: 1.921 local terms energy: -334.048732 where: bonds (distance) C4'-P energy: -88.992 bonds (distance) P-C4' energy: -119.728 flat angles C4'-P-C4' energy: -69.893 flat angles P-C4'-P energy: -60.961 tors. eta vs tors. theta energy: 5.525 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -526.905758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.905758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.905758 (E_RNA) where: Base-Base interactions energy: -224.368 where: short stacking energy: -149.790 Base-Backbone interact. energy: 1.448 local terms energy: -303.985601 where: bonds (distance) C4'-P energy: -84.132 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -95.557 flat angles P-C4'-P energy: -34.104 tors. eta vs tors. theta energy: -6.899 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: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2101.793514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.793514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.793514 (E_RNA) where: Base-Base interactions energy: -1458.115 where: short stacking energy: -623.890 Base-Backbone interact. energy: -1.343 local terms energy: -642.335308 where: bonds (distance) C4'-P energy: -124.095 bonds (distance) P-C4' energy: -123.322 flat angles C4'-P-C4' energy: -129.694 flat angles P-C4'-P energy: -83.259 tors. eta vs tors. theta energy: -181.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2037.660141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.660141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.660141 (E_RNA) where: Base-Base interactions energy: -1415.316 where: short stacking energy: -583.475 Base-Backbone interact. energy: -2.471 local terms energy: -619.873634 where: bonds (distance) C4'-P energy: -115.582 bonds (distance) P-C4' energy: -115.872 flat angles C4'-P-C4' energy: -122.626 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -177.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1979.580340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.580340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.580340 (E_RNA) where: Base-Base interactions energy: -1356.384 where: short stacking energy: -564.900 Base-Backbone interact. energy: -0.039 local terms energy: -623.157281 where: bonds (distance) C4'-P energy: -116.314 bonds (distance) P-C4' energy: -115.433 flat angles C4'-P-C4' energy: -131.358 flat angles P-C4'-P energy: -91.617 tors. eta vs tors. theta energy: -168.436 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: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1847.043878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.043878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.043878 (E_RNA) where: Base-Base interactions energy: -1299.157 where: short stacking energy: -523.893 Base-Backbone interact. energy: -2.755 local terms energy: -545.132265 where: bonds (distance) C4'-P energy: -99.335 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -117.382 flat angles P-C4'-P energy: -69.832 tors. eta vs tors. theta energy: -148.229 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: 10 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1738.905465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.905465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.905465 (E_RNA) where: Base-Base interactions energy: -1183.333 where: short stacking energy: -479.843 Base-Backbone interact. energy: -0.618 local terms energy: -554.953975 where: bonds (distance) C4'-P energy: -109.514 bonds (distance) P-C4' energy: -93.308 flat angles C4'-P-C4' energy: -127.028 flat angles P-C4'-P energy: -86.778 tors. eta vs tors. theta energy: -138.326 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: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1482.996273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.996273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.996273 (E_RNA) where: Base-Base interactions energy: -1001.569 where: short stacking energy: -439.060 Base-Backbone interact. energy: -3.524 local terms energy: -477.903137 where: bonds (distance) C4'-P energy: -98.320 bonds (distance) P-C4' energy: -90.705 flat angles C4'-P-C4' energy: -107.399 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: -116.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1366.346639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.346639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.346639 (E_RNA) where: Base-Base interactions energy: -895.751 where: short stacking energy: -384.046 Base-Backbone interact. energy: -3.614 local terms energy: -466.981287 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -90.325 flat angles C4'-P-C4' energy: -115.564 flat angles P-C4'-P energy: -74.859 tors. eta vs tors. theta energy: -89.961 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: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1082.430291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.430291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.430291 (E_RNA) where: Base-Base interactions energy: -697.943 where: short stacking energy: -314.668 Base-Backbone interact. energy: 0.106 local terms energy: -384.593671 where: bonds (distance) C4'-P energy: -96.233 bonds (distance) P-C4' energy: -82.069 flat angles C4'-P-C4' energy: -83.135 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -68.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -640.917907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.917907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.917907 (E_RNA) where: Base-Base interactions energy: -317.499 where: short stacking energy: -182.757 Base-Backbone interact. energy: -2.175 local terms energy: -321.244033 where: bonds (distance) C4'-P energy: -120.930 bonds (distance) P-C4' energy: -81.315 flat angles C4'-P-C4' energy: -71.635 flat angles P-C4'-P energy: -37.572 tors. eta vs tors. theta energy: -9.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -504.648445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.648445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.648445 (E_RNA) where: Base-Base interactions energy: -188.894 where: short stacking energy: -123.263 Base-Backbone interact. energy: 1.380 local terms energy: -317.133867 where: bonds (distance) C4'-P energy: -76.867 bonds (distance) P-C4' energy: -87.714 flat angles C4'-P-C4' energy: -98.941 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: 16.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2086.554864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.554864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.554864 (E_RNA) where: Base-Base interactions energy: -1431.192 where: short stacking energy: -595.944 Base-Backbone interact. energy: -2.546 local terms energy: -652.816448 where: bonds (distance) C4'-P energy: -114.252 bonds (distance) P-C4' energy: -132.093 flat angles C4'-P-C4' energy: -138.551 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -180.454 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: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2068.220345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.220345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.220345 (E_RNA) where: Base-Base interactions energy: -1413.514 where: short stacking energy: -602.417 Base-Backbone interact. energy: -5.535 local terms energy: -649.171038 where: bonds (distance) C4'-P energy: -114.982 bonds (distance) P-C4' energy: -124.087 flat angles C4'-P-C4' energy: -137.626 flat angles P-C4'-P energy: -91.630 tors. eta vs tors. theta energy: -180.847 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: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1961.899830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.899830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.899830 (E_RNA) where: Base-Base interactions energy: -1367.178 where: short stacking energy: -591.047 Base-Backbone interact. energy: -0.600 local terms energy: -594.120920 where: bonds (distance) C4'-P energy: -112.337 bonds (distance) P-C4' energy: -105.648 flat angles C4'-P-C4' energy: -127.287 flat angles P-C4'-P energy: -82.753 tors. eta vs tors. theta energy: -166.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1849.992905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.992905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.992905 (E_RNA) where: Base-Base interactions energy: -1288.377 where: short stacking energy: -529.436 Base-Backbone interact. energy: -2.819 local terms energy: -558.797187 where: bonds (distance) C4'-P energy: -100.311 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -119.839 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -144.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1723.428368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.428368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.428368 (E_RNA) where: Base-Base interactions energy: -1173.057 where: short stacking energy: -495.079 Base-Backbone interact. energy: -2.752 local terms energy: -547.619316 where: bonds (distance) C4'-P energy: -96.384 bonds (distance) P-C4' energy: -104.845 flat angles C4'-P-C4' energy: -125.364 flat angles P-C4'-P energy: -75.884 tors. eta vs tors. theta energy: -145.142 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: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1478.631599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.631599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.631599 (E_RNA) where: Base-Base interactions energy: -974.206 where: short stacking energy: -420.771 Base-Backbone interact. energy: 1.261 local terms energy: -505.686201 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -109.321 flat angles C4'-P-C4' energy: -112.772 flat angles P-C4'-P energy: -75.426 tors. eta vs tors. theta energy: -103.505 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: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1325.345146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.345146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.345146 (E_RNA) where: Base-Base interactions energy: -878.204 where: short stacking energy: -393.799 Base-Backbone interact. energy: 0.262 local terms energy: -447.402513 where: bonds (distance) C4'-P energy: -98.606 bonds (distance) P-C4' energy: -104.420 flat angles C4'-P-C4' energy: -105.357 flat angles P-C4'-P energy: -58.147 tors. eta vs tors. theta energy: -80.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1133.845733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.845733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.845733 (E_RNA) where: Base-Base interactions energy: -715.831 where: short stacking energy: -339.819 Base-Backbone interact. energy: -2.703 local terms energy: -415.311023 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -86.872 flat angles P-C4'-P energy: -46.538 tors. eta vs tors. theta energy: -77.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -634.239658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.239658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.239658 (E_RNA) where: Base-Base interactions energy: -329.681 where: short stacking energy: -178.050 Base-Backbone interact. energy: 5.754 local terms energy: -310.312300 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -87.533 flat angles C4'-P-C4' energy: -85.775 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: 12.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -536.659781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.659781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.659781 (E_RNA) where: Base-Base interactions energy: -238.726 where: short stacking energy: -142.664 Base-Backbone interact. energy: 4.903 local terms energy: -302.837052 where: bonds (distance) C4'-P energy: -82.374 bonds (distance) P-C4' energy: -109.744 flat angles C4'-P-C4' energy: -79.604 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: 10.918 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: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2058.641420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.641420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.641420 (E_RNA) where: Base-Base interactions energy: -1422.518 where: short stacking energy: -599.004 Base-Backbone interact. energy: -2.166 local terms energy: -633.957581 where: bonds (distance) C4'-P energy: -116.700 bonds (distance) P-C4' energy: -113.621 flat angles C4'-P-C4' energy: -126.763 flat angles P-C4'-P energy: -90.437 tors. eta vs tors. theta energy: -186.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2000.021119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.021119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.021119 (E_RNA) where: Base-Base interactions energy: -1401.647 where: short stacking energy: -593.893 Base-Backbone interact. energy: 5.671 local terms energy: -604.044615 where: bonds (distance) C4'-P energy: -95.879 bonds (distance) P-C4' energy: -111.497 flat angles C4'-P-C4' energy: -137.416 flat angles P-C4'-P energy: -85.305 tors. eta vs tors. theta energy: -173.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1956.538483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.538483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.538483 (E_RNA) where: Base-Base interactions energy: -1337.702 where: short stacking energy: -550.559 Base-Backbone interact. energy: -2.237 local terms energy: -616.599436 where: bonds (distance) C4'-P energy: -101.382 bonds (distance) P-C4' energy: -123.225 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -92.966 tors. eta vs tors. theta energy: -171.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1787.738484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.738484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.738484 (E_RNA) where: Base-Base interactions energy: -1207.604 where: short stacking energy: -512.290 Base-Backbone interact. energy: -4.587 local terms energy: -575.547386 where: bonds (distance) C4'-P energy: -104.735 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -131.734 flat angles P-C4'-P energy: -73.173 tors. eta vs tors. theta energy: -154.310 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: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1702.732362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.732362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.732362 (E_RNA) where: Base-Base interactions energy: -1128.065 where: short stacking energy: -483.275 Base-Backbone interact. energy: 2.798 local terms energy: -577.465290 where: bonds (distance) C4'-P energy: -116.199 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -117.273 flat angles P-C4'-P energy: -88.885 tors. eta vs tors. theta energy: -143.089 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: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1481.080888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.080888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.080888 (E_RNA) where: Base-Base interactions energy: -998.996 where: short stacking energy: -406.547 Base-Backbone interact. energy: 3.101 local terms energy: -485.186264 where: bonds (distance) C4'-P energy: -106.310 bonds (distance) P-C4' energy: -92.182 flat angles C4'-P-C4' energy: -113.176 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -106.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1346.013687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.013687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.013687 (E_RNA) where: Base-Base interactions energy: -886.610 where: short stacking energy: -410.013 Base-Backbone interact. energy: -2.625 local terms energy: -456.778874 where: bonds (distance) C4'-P energy: -104.801 bonds (distance) P-C4' energy: -107.140 flat angles C4'-P-C4' energy: -93.924 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -97.285 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: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1107.615364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.615364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.615364 (E_RNA) where: Base-Base interactions energy: -673.121 where: short stacking energy: -308.659 Base-Backbone interact. energy: -2.613 local terms energy: -431.881541 where: bonds (distance) C4'-P energy: -114.809 bonds (distance) P-C4' energy: -97.757 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -65.952 tors. eta vs tors. theta energy: -52.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -673.170421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.170421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.170421 (E_RNA) where: Base-Base interactions energy: -326.684 where: short stacking energy: -179.469 Base-Backbone interact. energy: -0.515 local terms energy: -345.971416 where: bonds (distance) C4'-P energy: -91.524 bonds (distance) P-C4' energy: -104.904 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -56.885 tors. eta vs tors. theta energy: -0.843 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: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -516.486110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.486110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.486110 (E_RNA) where: Base-Base interactions energy: -204.157 where: short stacking energy: -121.030 Base-Backbone interact. energy: -0.151 local terms energy: -312.178122 where: bonds (distance) C4'-P energy: -98.400 bonds (distance) P-C4' energy: -100.216 flat angles C4'-P-C4' energy: -85.795 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: 30.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2055.935382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.935382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.935382 (E_RNA) where: Base-Base interactions energy: -1433.076 where: short stacking energy: -607.566 Base-Backbone interact. energy: 0.809 local terms energy: -623.668144 where: bonds (distance) C4'-P energy: -115.393 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -79.235 tors. eta vs tors. theta energy: -180.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2047.062964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.062964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.062964 (E_RNA) where: Base-Base interactions energy: -1402.147 where: short stacking energy: -594.889 Base-Backbone interact. energy: -1.829 local terms energy: -643.087209 where: bonds (distance) C4'-P energy: -120.778 bonds (distance) P-C4' energy: -115.502 flat angles C4'-P-C4' energy: -134.694 flat angles P-C4'-P energy: -96.362 tors. eta vs tors. theta energy: -175.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2003.259702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.259702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.259702 (E_RNA) where: Base-Base interactions energy: -1388.557 where: short stacking energy: -571.014 Base-Backbone interact. energy: -4.495 local terms energy: -610.207883 where: bonds (distance) C4'-P energy: -109.611 bonds (distance) P-C4' energy: -119.668 flat angles C4'-P-C4' energy: -124.482 flat angles P-C4'-P energy: -79.164 tors. eta vs tors. theta energy: -177.283 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: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1838.589398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.589398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.589398 (E_RNA) where: Base-Base interactions energy: -1263.487 where: short stacking energy: -510.551 Base-Backbone interact. energy: -5.135 local terms energy: -569.967423 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -107.134 flat angles C4'-P-C4' energy: -122.936 flat angles P-C4'-P energy: -84.083 tors. eta vs tors. theta energy: -143.669 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: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1748.834720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.834720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.834720 (E_RNA) where: Base-Base interactions energy: -1199.565 where: short stacking energy: -494.006 Base-Backbone interact. energy: -2.329 local terms energy: -546.940710 where: bonds (distance) C4'-P energy: -109.453 bonds (distance) P-C4' energy: -107.965 flat angles C4'-P-C4' energy: -115.544 flat angles P-C4'-P energy: -73.877 tors. eta vs tors. theta energy: -140.101 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: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1536.048624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.048624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.048624 (E_RNA) where: Base-Base interactions energy: -1041.397 where: short stacking energy: -438.836 Base-Backbone interact. energy: 7.494 local terms energy: -502.146528 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -81.007 flat angles C4'-P-C4' energy: -122.730 flat angles P-C4'-P energy: -69.630 tors. eta vs tors. theta energy: -122.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1431.232807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.232807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.232807 (E_RNA) where: Base-Base interactions energy: -941.793 where: short stacking energy: -434.348 Base-Backbone interact. energy: -4.653 local terms energy: -484.787369 where: bonds (distance) C4'-P energy: -99.547 bonds (distance) P-C4' energy: -110.472 flat angles C4'-P-C4' energy: -114.939 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -99.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1119.371360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.371360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.371360 (E_RNA) where: Base-Base interactions energy: -721.973 where: short stacking energy: -337.202 Base-Backbone interact. energy: -0.913 local terms energy: -396.485011 where: bonds (distance) C4'-P energy: -91.392 bonds (distance) P-C4' energy: -95.915 flat angles C4'-P-C4' energy: -88.759 flat angles P-C4'-P energy: -70.612 tors. eta vs tors. theta energy: -49.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -641.296251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.296251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.296251 (E_RNA) where: Base-Base interactions energy: -303.332 where: short stacking energy: -189.232 Base-Backbone interact. energy: 0.790 local terms energy: -338.753942 where: bonds (distance) C4'-P energy: -96.470 bonds (distance) P-C4' energy: -112.428 flat angles C4'-P-C4' energy: -68.664 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -12.822 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: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -509.301459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.301459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.301459 (E_RNA) where: Base-Base interactions energy: -190.728 where: short stacking energy: -131.212 Base-Backbone interact. energy: 1.455 local terms energy: -320.028562 where: bonds (distance) C4'-P energy: -84.398 bonds (distance) P-C4' energy: -99.341 flat angles C4'-P-C4' energy: -87.570 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: 11.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2057.924638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.924638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.924638 (E_RNA) where: Base-Base interactions energy: -1421.962 where: short stacking energy: -595.783 Base-Backbone interact. energy: -1.553 local terms energy: -634.409508 where: bonds (distance) C4'-P energy: -121.788 bonds (distance) P-C4' energy: -126.712 flat angles C4'-P-C4' energy: -144.000 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: -169.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2015.097394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.097394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.097394 (E_RNA) where: Base-Base interactions energy: -1384.145 where: short stacking energy: -603.814 Base-Backbone interact. energy: -3.257 local terms energy: -627.695409 where: bonds (distance) C4'-P energy: -109.622 bonds (distance) P-C4' energy: -105.255 flat angles C4'-P-C4' energy: -138.251 flat angles P-C4'-P energy: -97.578 tors. eta vs tors. theta energy: -176.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1973.019040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.019040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.019040 (E_RNA) where: Base-Base interactions energy: -1356.481 where: short stacking energy: -596.299 Base-Backbone interact. energy: -0.580 local terms energy: -615.957759 where: bonds (distance) C4'-P energy: -97.848 bonds (distance) P-C4' energy: -119.084 flat angles C4'-P-C4' energy: -132.694 flat angles P-C4'-P energy: -96.069 tors. eta vs tors. theta energy: -170.264 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: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1835.021376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.021376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.021376 (E_RNA) where: Base-Base interactions energy: -1275.056 where: short stacking energy: -515.235 Base-Backbone interact. energy: -2.552 local terms energy: -557.413755 where: bonds (distance) C4'-P energy: -114.981 bonds (distance) P-C4' energy: -108.077 flat angles C4'-P-C4' energy: -117.772 flat angles P-C4'-P energy: -73.175 tors. eta vs tors. theta energy: -143.408 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: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1759.653348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.653348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.653348 (E_RNA) where: Base-Base interactions energy: -1209.201 where: short stacking energy: -502.529 Base-Backbone interact. energy: 0.126 local terms energy: -550.577486 where: bonds (distance) C4'-P energy: -105.410 bonds (distance) P-C4' energy: -101.217 flat angles C4'-P-C4' energy: -117.149 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: -143.523 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: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1530.448557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.448557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.448557 (E_RNA) where: Base-Base interactions energy: -1053.305 where: short stacking energy: -405.591 Base-Backbone interact. energy: -2.158 local terms energy: -474.986093 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -93.840 flat angles C4'-P-C4' energy: -112.309 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -107.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1454.847883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.847883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.847883 (E_RNA) where: Base-Base interactions energy: -998.254 where: short stacking energy: -404.524 Base-Backbone interact. energy: 6.134 local terms energy: -462.727670 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -111.315 flat angles C4'-P-C4' energy: -106.353 flat angles P-C4'-P energy: -69.353 tors. eta vs tors. theta energy: -89.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1093.825696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.825696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.825696 (E_RNA) where: Base-Base interactions energy: -665.280 where: short stacking energy: -282.519 Base-Backbone interact. energy: -0.657 local terms energy: -427.888721 where: bonds (distance) C4'-P energy: -90.693 bonds (distance) P-C4' energy: -123.508 flat angles C4'-P-C4' energy: -87.437 flat angles P-C4'-P energy: -82.479 tors. eta vs tors. theta energy: -43.772 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: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -678.707175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.707175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.707175 (E_RNA) where: Base-Base interactions energy: -348.582 where: short stacking energy: -162.791 Base-Backbone interact. energy: -1.457 local terms energy: -328.668633 where: bonds (distance) C4'-P energy: -96.256 bonds (distance) P-C4' energy: -95.480 flat angles C4'-P-C4' energy: -87.636 flat angles P-C4'-P energy: -50.107 tors. eta vs tors. theta energy: 0.810 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: 240 Temperature: 1.350000 Total energy: -493.677657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.677657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.677657 (E_RNA) where: Base-Base interactions energy: -207.597 where: short stacking energy: -127.067 Base-Backbone interact. energy: 6.438 local terms energy: -292.518833 where: bonds (distance) C4'-P energy: -93.794 bonds (distance) P-C4' energy: -94.211 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -70.279 tors. eta vs tors. theta energy: 24.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2062.897688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.897688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.897688 (E_RNA) where: Base-Base interactions energy: -1436.242 where: short stacking energy: -602.104 Base-Backbone interact. energy: -3.465 local terms energy: -623.190559 where: bonds (distance) C4'-P energy: -100.788 bonds (distance) P-C4' energy: -110.651 flat angles C4'-P-C4' energy: -135.342 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -174.374 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: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2037.641014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.641014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.641014 (E_RNA) where: Base-Base interactions energy: -1370.181 where: short stacking energy: -591.738 Base-Backbone interact. energy: -0.877 local terms energy: -666.583406 where: bonds (distance) C4'-P energy: -116.485 bonds (distance) P-C4' energy: -133.815 flat angles C4'-P-C4' energy: -134.079 flat angles P-C4'-P energy: -95.025 tors. eta vs tors. theta energy: -187.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1972.148747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.148747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.148747 (E_RNA) where: Base-Base interactions energy: -1377.063 where: short stacking energy: -577.126 Base-Backbone interact. energy: 2.279 local terms energy: -597.364038 where: bonds (distance) C4'-P energy: -108.691 bonds (distance) P-C4' energy: -113.346 flat angles C4'-P-C4' energy: -121.677 flat angles P-C4'-P energy: -91.062 tors. eta vs tors. theta energy: -162.588 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: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1812.082588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.082588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.082588 (E_RNA) where: Base-Base interactions energy: -1241.194 where: short stacking energy: -484.158 Base-Backbone interact. energy: 4.934 local terms energy: -575.822888 where: bonds (distance) C4'-P energy: -102.677 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -118.793 flat angles P-C4'-P energy: -90.005 tors. eta vs tors. theta energy: -144.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1704.581223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.581223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.581223 (E_RNA) where: Base-Base interactions energy: -1144.727 where: short stacking energy: -472.500 Base-Backbone interact. energy: -2.953 local terms energy: -556.900797 where: bonds (distance) C4'-P energy: -117.354 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -104.542 flat angles P-C4'-P energy: -81.991 tors. eta vs tors. theta energy: -138.711 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: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1506.067706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.067706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.067706 (E_RNA) where: Base-Base interactions energy: -1021.065 where: short stacking energy: -447.102 Base-Backbone interact. energy: -3.255 local terms energy: -481.747126 where: bonds (distance) C4'-P energy: -111.686 bonds (distance) P-C4' energy: -88.826 flat angles C4'-P-C4' energy: -111.704 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -118.842 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: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1440.142570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.142570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.142570 (E_RNA) where: Base-Base interactions energy: -944.187 where: short stacking energy: -386.446 Base-Backbone interact. energy: -2.369 local terms energy: -493.586714 where: bonds (distance) C4'-P energy: -103.814 bonds (distance) P-C4' energy: -113.226 flat angles C4'-P-C4' energy: -105.208 flat angles P-C4'-P energy: -67.126 tors. eta vs tors. theta energy: -104.213 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: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1129.831190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.831190 (E_RNA) where: Base-Base interactions energy: -729.568 where: short stacking energy: -312.949 Base-Backbone interact. energy: 1.038 local terms energy: -401.301086 where: bonds (distance) C4'-P energy: -95.856 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -108.304 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -42.236 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: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -634.575265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.575265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.575265 (E_RNA) where: Base-Base interactions energy: -299.117 where: short stacking energy: -165.703 Base-Backbone interact. energy: 2.224 local terms energy: -337.682697 where: bonds (distance) C4'-P energy: -101.569 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -91.035 flat angles P-C4'-P energy: -35.951 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -476.787353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.787353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.787353 (E_RNA) where: Base-Base interactions energy: -184.740 where: short stacking energy: -158.090 Base-Backbone interact. energy: 3.261 local terms energy: -295.308745 where: bonds (distance) C4'-P energy: -97.488 bonds (distance) P-C4' energy: -99.821 flat angles C4'-P-C4' energy: -77.589 flat angles P-C4'-P energy: -33.053 tors. eta vs tors. theta energy: 12.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2063.082528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.082528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.082528 (E_RNA) where: Base-Base interactions energy: -1414.598 where: short stacking energy: -584.223 Base-Backbone interact. energy: -5.252 local terms energy: -643.232654 where: bonds (distance) C4'-P energy: -119.883 bonds (distance) P-C4' energy: -129.453 flat angles C4'-P-C4' energy: -119.372 flat angles P-C4'-P energy: -94.410 tors. eta vs tors. theta energy: -180.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2019.657170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.657170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.657170 (E_RNA) where: Base-Base interactions energy: -1377.582 where: short stacking energy: -598.029 Base-Backbone interact. energy: -1.408 local terms energy: -640.667437 where: bonds (distance) C4'-P energy: -106.968 bonds (distance) P-C4' energy: -130.087 flat angles C4'-P-C4' energy: -126.114 flat angles P-C4'-P energy: -102.733 tors. eta vs tors. theta energy: -174.765 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: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1975.069095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.069095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.069095 (E_RNA) where: Base-Base interactions energy: -1378.888 where: short stacking energy: -584.728 Base-Backbone interact. energy: -3.571 local terms energy: -592.610202 where: bonds (distance) C4'-P energy: -83.134 bonds (distance) P-C4' energy: -120.296 flat angles C4'-P-C4' energy: -132.571 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -174.161 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: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1788.659571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.659571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.659571 (E_RNA) where: Base-Base interactions energy: -1228.796 where: short stacking energy: -504.187 Base-Backbone interact. energy: -1.882 local terms energy: -557.982537 where: bonds (distance) C4'-P energy: -106.924 bonds (distance) P-C4' energy: -110.168 flat angles C4'-P-C4' energy: -127.652 flat angles P-C4'-P energy: -76.709 tors. eta vs tors. theta energy: -136.529 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: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1742.019978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.019978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.019978 (E_RNA) where: Base-Base interactions energy: -1197.591 where: short stacking energy: -525.610 Base-Backbone interact. energy: -1.064 local terms energy: -543.364668 where: bonds (distance) C4'-P energy: -94.664 bonds (distance) P-C4' energy: -93.305 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -144.501 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: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1484.209253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.209253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.209253 (E_RNA) where: Base-Base interactions energy: -989.992 where: short stacking energy: -442.036 Base-Backbone interact. energy: 0.511 local terms energy: -494.728807 where: bonds (distance) C4'-P energy: -88.336 bonds (distance) P-C4' energy: -100.839 flat angles C4'-P-C4' energy: -124.412 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -112.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1352.034752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.034752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.034752 (E_RNA) where: Base-Base interactions energy: -882.412 where: short stacking energy: -388.095 Base-Backbone interact. energy: -2.727 local terms energy: -466.894856 where: bonds (distance) C4'-P energy: -97.032 bonds (distance) P-C4' energy: -109.352 flat angles C4'-P-C4' energy: -107.081 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: -96.154 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: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1116.596120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.596120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.596120 (E_RNA) where: Base-Base interactions energy: -681.183 where: short stacking energy: -318.639 Base-Backbone interact. energy: 0.643 local terms energy: -436.055921 where: bonds (distance) C4'-P energy: -109.183 bonds (distance) P-C4' energy: -102.958 flat angles C4'-P-C4' energy: -109.436 flat angles P-C4'-P energy: -51.968 tors. eta vs tors. theta energy: -62.511 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: 9, replica: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -618.765431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.765431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.765431 (E_RNA) where: Base-Base interactions energy: -291.494 where: short stacking energy: -163.765 Base-Backbone interact. energy: 3.947 local terms energy: -331.217792 where: bonds (distance) C4'-P energy: -100.163 bonds (distance) P-C4' energy: -96.398 flat angles C4'-P-C4' energy: -74.137 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: 3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -467.416364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.416364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.416364 (E_RNA) where: Base-Base interactions energy: -153.637 where: short stacking energy: -138.090 Base-Backbone interact. energy: 6.670 local terms energy: -320.449349 where: bonds (distance) C4'-P energy: -110.199 bonds (distance) P-C4' energy: -98.795 flat angles C4'-P-C4' energy: -88.890 flat angles P-C4'-P energy: -52.709 tors. eta vs tors. theta energy: 30.144 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: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2075.229450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.229450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.229450 (E_RNA) where: Base-Base interactions energy: -1430.909 where: short stacking energy: -604.988 Base-Backbone interact. energy: 2.302 local terms energy: -646.622820 where: bonds (distance) C4'-P energy: -115.477 bonds (distance) P-C4' energy: -116.767 flat angles C4'-P-C4' energy: -143.203 flat angles P-C4'-P energy: -88.921 tors. eta vs tors. theta energy: -182.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2016.997930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.997930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.997930 (E_RNA) where: Base-Base interactions energy: -1401.376 where: short stacking energy: -573.484 Base-Backbone interact. energy: 0.981 local terms energy: -616.603129 where: bonds (distance) C4'-P energy: -110.480 bonds (distance) P-C4' energy: -121.725 flat angles C4'-P-C4' energy: -143.199 flat angles P-C4'-P energy: -72.833 tors. eta vs tors. theta energy: -168.366 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: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1977.635688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.635688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.635688 (E_RNA) where: Base-Base interactions energy: -1375.150 where: short stacking energy: -574.086 Base-Backbone interact. energy: 0.634 local terms energy: -603.119162 where: bonds (distance) C4'-P energy: -112.992 bonds (distance) P-C4' energy: -103.848 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -98.136 tors. eta vs tors. theta energy: -166.305 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: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1826.366278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.366278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.366278 (E_RNA) where: Base-Base interactions energy: -1255.731 where: short stacking energy: -525.791 Base-Backbone interact. energy: -0.459 local terms energy: -570.176008 where: bonds (distance) C4'-P energy: -104.833 bonds (distance) P-C4' energy: -103.782 flat angles C4'-P-C4' energy: -122.685 flat angles P-C4'-P energy: -86.067 tors. eta vs tors. theta energy: -152.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1661.935304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.935304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.935304 (E_RNA) where: Base-Base interactions energy: -1110.528 where: short stacking energy: -448.234 Base-Backbone interact. energy: 3.502 local terms energy: -554.909201 where: bonds (distance) C4'-P energy: -97.546 bonds (distance) P-C4' energy: -115.174 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -77.011 tors. eta vs tors. theta energy: -136.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1515.087860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.087860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.087860 (E_RNA) where: Base-Base interactions energy: -995.743 where: short stacking energy: -446.842 Base-Backbone interact. energy: 0.451 local terms energy: -519.795581 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -121.981 flat angles P-C4'-P energy: -74.323 tors. eta vs tors. theta energy: -113.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1379.856035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.856035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.856035 (E_RNA) where: Base-Base interactions energy: -914.306 where: short stacking energy: -400.689 Base-Backbone interact. energy: -1.909 local terms energy: -463.640906 where: bonds (distance) C4'-P energy: -96.424 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -108.959 flat angles P-C4'-P energy: -65.812 tors. eta vs tors. theta energy: -98.748 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: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1150.995757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.995757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.995757 (E_RNA) where: Base-Base interactions energy: -734.693 where: short stacking energy: -335.966 Base-Backbone interact. energy: -1.183 local terms energy: -415.119825 where: bonds (distance) C4'-P energy: -95.243 bonds (distance) P-C4' energy: -99.736 flat angles C4'-P-C4' energy: -99.617 flat angles P-C4'-P energy: -56.371 tors. eta vs tors. theta energy: -64.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -676.094566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.094566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.094566 (E_RNA) where: Base-Base interactions energy: -335.059 where: short stacking energy: -190.064 Base-Backbone interact. energy: 1.664 local terms energy: -342.699069 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -101.006 flat angles C4'-P-C4' energy: -81.478 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -13.986 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: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -481.198314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.198314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.198314 (E_RNA) where: Base-Base interactions energy: -201.448 where: short stacking energy: -131.629 Base-Backbone interact. energy: 5.633 local terms energy: -285.382673 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -102.571 flat angles C4'-P-C4' energy: -73.604 flat angles P-C4'-P energy: -44.166 tors. eta vs tors. theta energy: 23.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2093.553361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.553361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.553361 (E_RNA) where: Base-Base interactions energy: -1493.181 where: short stacking energy: -610.523 Base-Backbone interact. energy: 0.845 local terms energy: -601.217190 where: bonds (distance) C4'-P energy: -90.193 bonds (distance) P-C4' energy: -114.461 flat angles C4'-P-C4' energy: -131.684 flat angles P-C4'-P energy: -79.251 tors. eta vs tors. theta energy: -185.628 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: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2006.958826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.958826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.958826 (E_RNA) where: Base-Base interactions energy: -1376.066 where: short stacking energy: -586.717 Base-Backbone interact. energy: -2.739 local terms energy: -628.154722 where: bonds (distance) C4'-P energy: -116.923 bonds (distance) P-C4' energy: -115.660 flat angles C4'-P-C4' energy: -140.788 flat angles P-C4'-P energy: -77.814 tors. eta vs tors. theta energy: -176.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1944.706603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.706603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.706603 (E_RNA) where: Base-Base interactions energy: -1340.114 where: short stacking energy: -578.348 Base-Backbone interact. energy: -3.341 local terms energy: -601.251277 where: bonds (distance) C4'-P energy: -103.811 bonds (distance) P-C4' energy: -113.676 flat angles C4'-P-C4' energy: -118.947 flat angles P-C4'-P energy: -83.623 tors. eta vs tors. theta energy: -181.193 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: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1802.721927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.721927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.721927 (E_RNA) where: Base-Base interactions energy: -1206.289 where: short stacking energy: -510.349 Base-Backbone interact. energy: -3.923 local terms energy: -592.510237 where: bonds (distance) C4'-P energy: -127.898 bonds (distance) P-C4' energy: -98.403 flat angles C4'-P-C4' energy: -129.089 flat angles P-C4'-P energy: -84.474 tors. eta vs tors. theta energy: -152.646 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: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1706.839094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.839094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.839094 (E_RNA) where: Base-Base interactions energy: -1164.806 where: short stacking energy: -480.117 Base-Backbone interact. energy: 1.868 local terms energy: -543.900836 where: bonds (distance) C4'-P energy: -95.475 bonds (distance) P-C4' energy: -119.159 flat angles C4'-P-C4' energy: -122.846 flat angles P-C4'-P energy: -72.367 tors. eta vs tors. theta energy: -134.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1545.047120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.047120 (E_RNA) where: Base-Base interactions energy: -1051.280 where: short stacking energy: -445.748 Base-Backbone interact. energy: -2.707 local terms energy: -491.060373 where: bonds (distance) C4'-P energy: -100.294 bonds (distance) P-C4' energy: -112.846 flat angles C4'-P-C4' energy: -95.828 flat angles P-C4'-P energy: -66.285 tors. eta vs tors. theta energy: -115.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1325.077023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.077023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.077023 (E_RNA) where: Base-Base interactions energy: -873.028 where: short stacking energy: -391.203 Base-Backbone interact. energy: 1.574 local terms energy: -453.622682 where: bonds (distance) C4'-P energy: -104.656 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -104.743 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -84.672 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: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1162.598257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.598257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.598257 (E_RNA) where: Base-Base interactions energy: -729.790 where: short stacking energy: -363.713 Base-Backbone interact. energy: 2.682 local terms energy: -435.490107 where: bonds (distance) C4'-P energy: -91.341 bonds (distance) P-C4' energy: -113.050 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -81.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -696.267754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.267754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.267754 (E_RNA) where: Base-Base interactions energy: -351.130 where: short stacking energy: -195.794 Base-Backbone interact. energy: -1.779 local terms energy: -343.358522 where: bonds (distance) C4'-P energy: -84.492 bonds (distance) P-C4' energy: -107.557 flat angles C4'-P-C4' energy: -89.741 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -15.513 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: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -546.201390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.201390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.201390 (E_RNA) where: Base-Base interactions energy: -259.302 where: short stacking energy: -168.614 Base-Backbone interact. energy: 1.444 local terms energy: -288.343990 where: bonds (distance) C4'-P energy: -89.035 bonds (distance) P-C4' energy: -93.890 flat angles C4'-P-C4' energy: -79.638 flat angles P-C4'-P energy: -35.638 tors. eta vs tors. theta energy: 9.857 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: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2119.682341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.682341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.682341 (E_RNA) where: Base-Base interactions energy: -1467.444 where: short stacking energy: -603.393 Base-Backbone interact. energy: 5.117 local terms energy: -657.355863 where: bonds (distance) C4'-P energy: -129.121 bonds (distance) P-C4' energy: -109.333 flat angles C4'-P-C4' energy: -140.082 flat angles P-C4'-P energy: -99.631 tors. eta vs tors. theta energy: -179.189 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: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2030.019514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.019514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.019514 (E_RNA) where: Base-Base interactions energy: -1394.153 where: short stacking energy: -599.994 Base-Backbone interact. energy: -0.763 local terms energy: -635.103805 where: bonds (distance) C4'-P energy: -104.253 bonds (distance) P-C4' energy: -125.189 flat angles C4'-P-C4' energy: -133.701 flat angles P-C4'-P energy: -96.520 tors. eta vs tors. theta energy: -175.441 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: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1945.933295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.933295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.933295 (E_RNA) where: Base-Base interactions energy: -1347.053 where: short stacking energy: -564.255 Base-Backbone interact. energy: -3.602 local terms energy: -595.278777 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -100.191 flat angles C4'-P-C4' energy: -134.391 flat angles P-C4'-P energy: -78.058 tors. eta vs tors. theta energy: -166.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1802.992135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.992135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.992135 (E_RNA) where: Base-Base interactions energy: -1251.182 where: short stacking energy: -539.631 Base-Backbone interact. energy: -1.441 local terms energy: -550.368855 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -113.698 flat angles C4'-P-C4' energy: -128.213 flat angles P-C4'-P energy: -74.063 tors. eta vs tors. theta energy: -140.026 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: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1724.873183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.873183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.873183 (E_RNA) where: Base-Base interactions energy: -1188.722 where: short stacking energy: -503.653 Base-Backbone interact. energy: -3.257 local terms energy: -532.894259 where: bonds (distance) C4'-P energy: -90.198 bonds (distance) P-C4' energy: -112.203 flat angles C4'-P-C4' energy: -127.828 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: -138.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1502.745562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.745562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.745562 (E_RNA) where: Base-Base interactions energy: -987.956 where: short stacking energy: -453.642 Base-Backbone interact. energy: 1.322 local terms energy: -516.111751 where: bonds (distance) C4'-P energy: -103.255 bonds (distance) P-C4' energy: -103.504 flat angles C4'-P-C4' energy: -117.750 flat angles P-C4'-P energy: -76.521 tors. eta vs tors. theta energy: -115.081 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: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1389.828580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.828580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.828580 (E_RNA) where: Base-Base interactions energy: -944.173 where: short stacking energy: -401.883 Base-Backbone interact. energy: -1.144 local terms energy: -444.511662 where: bonds (distance) C4'-P energy: -82.128 bonds (distance) P-C4' energy: -104.972 flat angles C4'-P-C4' energy: -108.119 flat angles P-C4'-P energy: -53.144 tors. eta vs tors. theta energy: -96.148 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: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1171.646825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.646825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.646825 (E_RNA) where: Base-Base interactions energy: -725.925 where: short stacking energy: -330.362 Base-Backbone interact. energy: -2.656 local terms energy: -443.065829 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -96.180 flat angles C4'-P-C4' energy: -119.518 flat angles P-C4'-P energy: -76.446 tors. eta vs tors. theta energy: -51.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -679.937829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.937829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.937829 (E_RNA) where: Base-Base interactions energy: -345.605 where: short stacking energy: -210.902 Base-Backbone interact. energy: -0.924 local terms energy: -333.408770 where: bonds (distance) C4'-P energy: -78.465 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -51.712 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -468.649879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.649879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.649879 (E_RNA) where: Base-Base interactions energy: -182.159 where: short stacking energy: -135.423 Base-Backbone interact. energy: 3.488 local terms energy: -289.978840 where: bonds (distance) C4'-P energy: -102.028 bonds (distance) P-C4' energy: -88.648 flat angles C4'-P-C4' energy: -84.364 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: 31.279 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: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2099.685763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.685763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.685763 (E_RNA) where: Base-Base interactions energy: -1479.994 where: short stacking energy: -618.857 Base-Backbone interact. energy: -1.502 local terms energy: -618.189495 where: bonds (distance) C4'-P energy: -98.016 bonds (distance) P-C4' energy: -112.589 flat angles C4'-P-C4' energy: -134.314 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -186.097 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: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2007.078103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.078103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.078103 (E_RNA) where: Base-Base interactions energy: -1385.968 where: short stacking energy: -592.775 Base-Backbone interact. energy: -1.775 local terms energy: -619.334897 where: bonds (distance) C4'-P energy: -115.154 bonds (distance) P-C4' energy: -122.159 flat angles C4'-P-C4' energy: -130.961 flat angles P-C4'-P energy: -88.226 tors. eta vs tors. theta energy: -162.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1959.920567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.920567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.920567 (E_RNA) where: Base-Base interactions energy: -1335.452 where: short stacking energy: -571.469 Base-Backbone interact. energy: -3.079 local terms energy: -621.388982 where: bonds (distance) C4'-P energy: -107.699 bonds (distance) P-C4' energy: -119.404 flat angles C4'-P-C4' energy: -119.352 flat angles P-C4'-P energy: -95.322 tors. eta vs tors. theta energy: -179.611 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: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1806.761122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.761122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.761122 (E_RNA) where: Base-Base interactions energy: -1243.084 where: short stacking energy: -497.345 Base-Backbone interact. energy: 0.279 local terms energy: -563.956899 where: bonds (distance) C4'-P energy: -113.893 bonds (distance) P-C4' energy: -102.915 flat angles C4'-P-C4' energy: -125.203 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -146.323 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: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1720.307641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.307641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.307641 (E_RNA) where: Base-Base interactions energy: -1186.409 where: short stacking energy: -507.571 Base-Backbone interact. energy: -1.784 local terms energy: -532.114433 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -116.469 flat angles C4'-P-C4' energy: -103.372 flat angles P-C4'-P energy: -73.351 tors. eta vs tors. theta energy: -147.896 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: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1527.457121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.457121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.457121 (E_RNA) where: Base-Base interactions energy: -1001.409 where: short stacking energy: -437.506 Base-Backbone interact. energy: 0.069 local terms energy: -526.117434 where: bonds (distance) C4'-P energy: -107.230 bonds (distance) P-C4' energy: -115.109 flat angles C4'-P-C4' energy: -116.254 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -110.820 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: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1424.150605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.150605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.150605 (E_RNA) where: Base-Base interactions energy: -951.936 where: short stacking energy: -444.276 Base-Backbone interact. energy: -0.455 local terms energy: -471.759366 where: bonds (distance) C4'-P energy: -79.196 bonds (distance) P-C4' energy: -102.147 flat angles C4'-P-C4' energy: -98.436 flat angles P-C4'-P energy: -73.548 tors. eta vs tors. theta energy: -118.432 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: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1142.131840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.131840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.131840 (E_RNA) where: Base-Base interactions energy: -731.015 where: short stacking energy: -323.765 Base-Backbone interact. energy: 0.016 local terms energy: -411.132310 where: bonds (distance) C4'-P energy: -74.285 bonds (distance) P-C4' energy: -116.070 flat angles C4'-P-C4' energy: -99.326 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -59.489 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: 246 Temperature: 1.300000 Total energy: -647.789380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.789380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.789380 (E_RNA) where: Base-Base interactions energy: -298.890 where: short stacking energy: -183.118 Base-Backbone interact. energy: 0.985 local terms energy: -349.884412 where: bonds (distance) C4'-P energy: -98.764 bonds (distance) P-C4' energy: -104.802 flat angles C4'-P-C4' energy: -104.215 flat angles P-C4'-P energy: -46.068 tors. eta vs tors. theta energy: 3.965 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: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -464.619727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.619727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.619727 (E_RNA) where: Base-Base interactions energy: -171.581 where: short stacking energy: -145.533 Base-Backbone interact. energy: 1.584 local terms energy: -294.622872 where: bonds (distance) C4'-P energy: -101.524 bonds (distance) P-C4' energy: -103.037 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -31.978 tors. eta vs tors. theta energy: 10.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2113.279336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.279336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.279336 (E_RNA) where: Base-Base interactions energy: -1458.769 where: short stacking energy: -600.935 Base-Backbone interact. energy: -2.643 local terms energy: -651.867131 where: bonds (distance) C4'-P energy: -114.431 bonds (distance) P-C4' energy: -122.871 flat angles C4'-P-C4' energy: -133.882 flat angles P-C4'-P energy: -93.433 tors. eta vs tors. theta energy: -187.250 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: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2043.823680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.823680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.823680 (E_RNA) where: Base-Base interactions energy: -1415.065 where: short stacking energy: -595.990 Base-Backbone interact. energy: -3.710 local terms energy: -625.049499 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -120.036 flat angles C4'-P-C4' energy: -127.816 flat angles P-C4'-P energy: -87.084 tors. eta vs tors. theta energy: -176.695 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: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1981.131242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.131242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.131242 (E_RNA) where: Base-Base interactions energy: -1370.617 where: short stacking energy: -568.011 Base-Backbone interact. energy: -2.771 local terms energy: -607.742846 where: bonds (distance) C4'-P energy: -102.680 bonds (distance) P-C4' energy: -111.760 flat angles C4'-P-C4' energy: -128.099 flat angles P-C4'-P energy: -93.372 tors. eta vs tors. theta energy: -171.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1775.993078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.993078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.993078 (E_RNA) where: Base-Base interactions energy: -1224.526 where: short stacking energy: -496.778 Base-Backbone interact. energy: -1.739 local terms energy: -549.727753 where: bonds (distance) C4'-P energy: -110.986 bonds (distance) P-C4' energy: -121.007 flat angles C4'-P-C4' energy: -123.018 flat angles P-C4'-P energy: -58.898 tors. eta vs tors. theta energy: -135.819 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: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1782.649092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.649092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.649092 (E_RNA) where: Base-Base interactions energy: -1235.964 where: short stacking energy: -508.125 Base-Backbone interact. energy: -4.590 local terms energy: -542.094385 where: bonds (distance) C4'-P energy: -96.298 bonds (distance) P-C4' energy: -110.245 flat angles C4'-P-C4' energy: -109.136 flat angles P-C4'-P energy: -75.532 tors. eta vs tors. theta energy: -150.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1503.101452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.101452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.101452 (E_RNA) where: Base-Base interactions energy: -1001.262 where: short stacking energy: -439.719 Base-Backbone interact. energy: 2.661 local terms energy: -504.499976 where: bonds (distance) C4'-P energy: -108.685 bonds (distance) P-C4' energy: -107.741 flat angles C4'-P-C4' energy: -96.151 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: -125.055 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: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1383.991830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.991830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.991830 (E_RNA) where: Base-Base interactions energy: -910.958 where: short stacking energy: -385.112 Base-Backbone interact. energy: -1.373 local terms energy: -471.660120 where: bonds (distance) C4'-P energy: -87.648 bonds (distance) P-C4' energy: -105.991 flat angles C4'-P-C4' energy: -114.749 flat angles P-C4'-P energy: -63.595 tors. eta vs tors. theta energy: -99.678 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: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1174.562210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.562210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.562210 (E_RNA) where: Base-Base interactions energy: -729.351 where: short stacking energy: -317.110 Base-Backbone interact. energy: 1.795 local terms energy: -447.006210 where: bonds (distance) C4'-P energy: -109.956 bonds (distance) P-C4' energy: -116.698 flat angles C4'-P-C4' energy: -101.719 flat angles P-C4'-P energy: -58.956 tors. eta vs tors. theta energy: -59.677 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: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -630.353542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.353542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.353542 (E_RNA) where: Base-Base interactions energy: -280.618 where: short stacking energy: -194.164 Base-Backbone interact. energy: 2.774 local terms energy: -352.509099 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -120.945 flat angles C4'-P-C4' energy: -73.114 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -10.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -459.124248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.124248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.124248 (E_RNA) where: Base-Base interactions energy: -171.882 where: short stacking energy: -120.430 Base-Backbone interact. energy: -2.260 local terms energy: -284.982371 where: bonds (distance) C4'-P energy: -85.082 bonds (distance) P-C4' energy: -115.608 flat angles C4'-P-C4' energy: -87.582 flat angles P-C4'-P energy: -28.495 tors. eta vs tors. theta energy: 31.784 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: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2104.902228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.902228 (E_RNA) where: Base-Base interactions energy: -1476.049 where: short stacking energy: -611.456 Base-Backbone interact. energy: -2.908 local terms energy: -625.945020 where: bonds (distance) C4'-P energy: -107.674 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -136.653 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -182.769 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2001.132976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.132976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.132976 (E_RNA) where: Base-Base interactions energy: -1396.869 where: short stacking energy: -587.303 Base-Backbone interact. energy: -2.453 local terms energy: -601.811460 where: bonds (distance) C4'-P energy: -111.018 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -123.077 flat angles P-C4'-P energy: -80.008 tors. eta vs tors. theta energy: -168.108 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: 248 Temperature: 1.000000 Total energy: -1954.812790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.812790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.812790 (E_RNA) where: Base-Base interactions energy: -1378.941 where: short stacking energy: -595.576 Base-Backbone interact. energy: -3.961 local terms energy: -571.910165 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -101.043 flat angles C4'-P-C4' energy: -115.089 flat angles P-C4'-P energy: -93.891 tors. eta vs tors. theta energy: -157.596 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: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1781.876979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.876979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.876979 (E_RNA) where: Base-Base interactions energy: -1227.007 where: short stacking energy: -515.935 Base-Backbone interact. energy: -2.334 local terms energy: -552.536267 where: bonds (distance) C4'-P energy: -112.084 bonds (distance) P-C4' energy: -107.976 flat angles C4'-P-C4' energy: -117.664 flat angles P-C4'-P energy: -72.675 tors. eta vs tors. theta energy: -142.138 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: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1790.014089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.014089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.014089 (E_RNA) where: Base-Base interactions energy: -1221.607 where: short stacking energy: -524.144 Base-Backbone interact. energy: -2.447 local terms energy: -565.960451 where: bonds (distance) C4'-P energy: -111.754 bonds (distance) P-C4' energy: -98.976 flat angles C4'-P-C4' energy: -116.076 flat angles P-C4'-P energy: -83.788 tors. eta vs tors. theta energy: -155.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1461.785378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.785378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.785378 (E_RNA) where: Base-Base interactions energy: -993.268 where: short stacking energy: -453.811 Base-Backbone interact. energy: -2.573 local terms energy: -465.944321 where: bonds (distance) C4'-P energy: -91.961 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -108.676 flat angles P-C4'-P energy: -59.539 tors. eta vs tors. theta energy: -112.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1351.526389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.526389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.526389 (E_RNA) where: Base-Base interactions energy: -882.606 where: short stacking energy: -370.774 Base-Backbone interact. energy: -2.457 local terms energy: -466.464064 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -106.882 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -83.309 tors. eta vs tors. theta energy: -94.852 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: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1197.067017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.067017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.067017 (E_RNA) where: Base-Base interactions energy: -770.567 where: short stacking energy: -341.515 Base-Backbone interact. energy: -2.445 local terms energy: -424.055282 where: bonds (distance) C4'-P energy: -91.991 bonds (distance) P-C4' energy: -105.313 flat angles C4'-P-C4' energy: -97.032 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -69.722 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: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -568.823398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.823398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.823398 (E_RNA) where: Base-Base interactions energy: -253.981 where: short stacking energy: -157.756 Base-Backbone interact. energy: -1.157 local terms energy: -313.685795 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -96.539 flat angles C4'-P-C4' energy: -94.640 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: 11.410 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: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -491.929086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.929086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.929086 (E_RNA) where: Base-Base interactions energy: -173.740 where: short stacking energy: -137.675 Base-Backbone interact. energy: 1.158 local terms energy: -319.347356 where: bonds (distance) C4'-P energy: -98.451 bonds (distance) P-C4' energy: -102.662 flat angles C4'-P-C4' energy: -95.671 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: 29.097 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: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2103.588896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.588896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.588896 (E_RNA) where: Base-Base interactions energy: -1442.729 where: short stacking energy: -613.868 Base-Backbone interact. energy: -5.880 local terms energy: -654.980631 where: bonds (distance) C4'-P energy: -109.374 bonds (distance) P-C4' energy: -122.040 flat angles C4'-P-C4' energy: -144.227 flat angles P-C4'-P energy: -87.903 tors. eta vs tors. theta energy: -191.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1999.543290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.543290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.543290 (E_RNA) where: Base-Base interactions energy: -1380.634 where: short stacking energy: -592.130 Base-Backbone interact. energy: 3.399 local terms energy: -622.308427 where: bonds (distance) C4'-P energy: -118.426 bonds (distance) P-C4' energy: -121.594 flat angles C4'-P-C4' energy: -128.920 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -175.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1965.490572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.490572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.490572 (E_RNA) where: Base-Base interactions energy: -1340.327 where: short stacking energy: -571.926 Base-Backbone interact. energy: -0.714 local terms energy: -624.450270 where: bonds (distance) C4'-P energy: -108.830 bonds (distance) P-C4' energy: -125.515 flat angles C4'-P-C4' energy: -126.186 flat angles P-C4'-P energy: -93.855 tors. eta vs tors. theta energy: -170.065 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: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1867.191333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.191333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.191333 (E_RNA) where: Base-Base interactions energy: -1261.204 where: short stacking energy: -544.274 Base-Backbone interact. energy: -3.400 local terms energy: -602.586848 where: bonds (distance) C4'-P energy: -114.248 bonds (distance) P-C4' energy: -115.047 flat angles C4'-P-C4' energy: -119.511 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -159.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1712.179507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.179507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.179507 (E_RNA) where: Base-Base interactions energy: -1137.875 where: short stacking energy: -506.263 Base-Backbone interact. energy: -3.515 local terms energy: -570.789162 where: bonds (distance) C4'-P energy: -109.342 bonds (distance) P-C4' energy: -113.817 flat angles C4'-P-C4' energy: -121.971 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -146.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1447.263786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.263786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.263786 (E_RNA) where: Base-Base interactions energy: -957.377 where: short stacking energy: -444.328 Base-Backbone interact. energy: -0.044 local terms energy: -489.842018 where: bonds (distance) C4'-P energy: -113.709 bonds (distance) P-C4' energy: -96.169 flat angles C4'-P-C4' energy: -102.577 flat angles P-C4'-P energy: -63.879 tors. eta vs tors. theta energy: -113.508 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1311.581212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.581212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.581212 (E_RNA) where: Base-Base interactions energy: -856.037 where: short stacking energy: -360.284 Base-Backbone interact. energy: -4.631 local terms energy: -450.913141 where: bonds (distance) C4'-P energy: -94.846 bonds (distance) P-C4' energy: -99.632 flat angles C4'-P-C4' energy: -107.077 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -78.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1200.945473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.945473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.945473 (E_RNA) where: Base-Base interactions energy: -747.188 where: short stacking energy: -341.825 Base-Backbone interact. energy: -0.725 local terms energy: -453.032465 where: bonds (distance) C4'-P energy: -93.823 bonds (distance) P-C4' energy: -108.896 flat angles C4'-P-C4' energy: -106.343 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -86.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -599.048815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.048815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.048815 (E_RNA) where: Base-Base interactions energy: -263.458 where: short stacking energy: -167.911 Base-Backbone interact. energy: 2.549 local terms energy: -338.139212 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -112.368 flat angles C4'-P-C4' energy: -84.638 flat angles P-C4'-P energy: -45.201 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -489.674800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.674800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.674800 (E_RNA) where: Base-Base interactions energy: -209.992 where: short stacking energy: -135.461 Base-Backbone interact. energy: 0.278 local terms energy: -279.960971 where: bonds (distance) C4'-P energy: -82.521 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -88.231 flat angles P-C4'-P energy: -41.962 tors. eta vs tors. theta energy: 18.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2093.106154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.106154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.106154 (E_RNA) where: Base-Base interactions energy: -1453.151 where: short stacking energy: -632.448 Base-Backbone interact. energy: -3.088 local terms energy: -636.867443 where: bonds (distance) C4'-P energy: -115.085 bonds (distance) P-C4' energy: -121.171 flat angles C4'-P-C4' energy: -141.979 flat angles P-C4'-P energy: -76.930 tors. eta vs tors. theta energy: -181.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2006.853870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.853870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.853870 (E_RNA) where: Base-Base interactions energy: -1366.279 where: short stacking energy: -594.373 Base-Backbone interact. energy: 1.448 local terms energy: -642.022148 where: bonds (distance) C4'-P energy: -104.285 bonds (distance) P-C4' energy: -119.536 flat angles C4'-P-C4' energy: -137.831 flat angles P-C4'-P energy: -96.294 tors. eta vs tors. theta energy: -184.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1985.902141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.902141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.902141 (E_RNA) where: Base-Base interactions energy: -1365.661 where: short stacking energy: -578.093 Base-Backbone interact. energy: -1.144 local terms energy: -619.096981 where: bonds (distance) C4'-P energy: -109.222 bonds (distance) P-C4' energy: -112.945 flat angles C4'-P-C4' energy: -143.279 flat angles P-C4'-P energy: -80.177 tors. eta vs tors. theta energy: -173.474 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: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1842.657323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.657323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.657323 (E_RNA) where: Base-Base interactions energy: -1259.606 where: short stacking energy: -527.157 Base-Backbone interact. energy: -5.345 local terms energy: -577.706800 where: bonds (distance) C4'-P energy: -111.457 bonds (distance) P-C4' energy: -115.119 flat angles C4'-P-C4' energy: -109.297 flat angles P-C4'-P energy: -83.289 tors. eta vs tors. theta energy: -158.545 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: 5, replica: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1728.931640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.931640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.931640 (E_RNA) where: Base-Base interactions energy: -1186.887 where: short stacking energy: -495.091 Base-Backbone interact. energy: -2.211 local terms energy: -539.833307 where: bonds (distance) C4'-P energy: -105.407 bonds (distance) P-C4' energy: -108.910 flat angles C4'-P-C4' energy: -121.598 flat angles P-C4'-P energy: -67.612 tors. eta vs tors. theta energy: -136.306 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: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1471.796862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.796862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.796862 (E_RNA) where: Base-Base interactions energy: -939.977 where: short stacking energy: -415.763 Base-Backbone interact. energy: -0.083 local terms energy: -531.736687 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -72.354 tors. eta vs tors. theta energy: -106.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1318.047427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.047427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.047427 (E_RNA) where: Base-Base interactions energy: -882.404 where: short stacking energy: -356.585 Base-Backbone interact. energy: 0.803 local terms energy: -436.446188 where: bonds (distance) C4'-P energy: -102.701 bonds (distance) P-C4' energy: -97.353 flat angles C4'-P-C4' energy: -108.296 flat angles P-C4'-P energy: -64.735 tors. eta vs tors. theta energy: -63.362 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: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1246.898268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.898268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.898268 (E_RNA) where: Base-Base interactions energy: -803.227 where: short stacking energy: -343.468 Base-Backbone interact. energy: -1.320 local terms energy: -442.351119 where: bonds (distance) C4'-P energy: -104.896 bonds (distance) P-C4' energy: -94.362 flat angles C4'-P-C4' energy: -89.953 flat angles P-C4'-P energy: -67.391 tors. eta vs tors. theta energy: -85.750 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: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -600.562018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.562018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.562018 (E_RNA) where: Base-Base interactions energy: -268.626 where: short stacking energy: -189.167 Base-Backbone interact. energy: -0.762 local terms energy: -331.174480 where: bonds (distance) C4'-P energy: -86.067 bonds (distance) P-C4' energy: -96.437 flat angles C4'-P-C4' energy: -96.583 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -512.275958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.275958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.275958 (E_RNA) where: Base-Base interactions energy: -206.916 where: short stacking energy: -130.015 Base-Backbone interact. energy: 1.352 local terms energy: -306.711871 where: bonds (distance) C4'-P energy: -83.968 bonds (distance) P-C4' energy: -104.787 flat angles C4'-P-C4' energy: -82.848 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: 21.987 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: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2089.825145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.825145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.825145 (E_RNA) where: Base-Base interactions energy: -1430.849 where: short stacking energy: -603.166 Base-Backbone interact. energy: -2.191 local terms energy: -656.785220 where: bonds (distance) C4'-P energy: -124.286 bonds (distance) P-C4' energy: -123.674 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -95.229 tors. eta vs tors. theta energy: -185.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2028.442716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.442716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.442716 (E_RNA) where: Base-Base interactions energy: -1410.734 where: short stacking energy: -568.286 Base-Backbone interact. energy: -3.612 local terms energy: -614.096257 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -116.344 flat angles C4'-P-C4' energy: -127.998 flat angles P-C4'-P energy: -90.250 tors. eta vs tors. theta energy: -174.521 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: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1958.063707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.063707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.063707 (E_RNA) where: Base-Base interactions energy: -1371.770 where: short stacking energy: -573.378 Base-Backbone interact. energy: -0.872 local terms energy: -585.422302 where: bonds (distance) C4'-P energy: -111.333 bonds (distance) P-C4' energy: -99.381 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: -171.489 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: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1814.438283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.438283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.438283 (E_RNA) where: Base-Base interactions energy: -1253.892 where: short stacking energy: -509.435 Base-Backbone interact. energy: 2.429 local terms energy: -562.975713 where: bonds (distance) C4'-P energy: -103.245 bonds (distance) P-C4' energy: -97.559 flat angles C4'-P-C4' energy: -132.094 flat angles P-C4'-P energy: -80.335 tors. eta vs tors. theta energy: -149.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1728.518057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.518057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.518057 (E_RNA) where: Base-Base interactions energy: -1191.049 where: short stacking energy: -504.498 Base-Backbone interact. energy: -2.104 local terms energy: -535.364872 where: bonds (distance) C4'-P energy: -82.038 bonds (distance) P-C4' energy: -126.732 flat angles C4'-P-C4' energy: -113.881 flat angles P-C4'-P energy: -74.944 tors. eta vs tors. theta energy: -137.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1511.574715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.574715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.574715 (E_RNA) where: Base-Base interactions energy: -1023.265 where: short stacking energy: -458.161 Base-Backbone interact. energy: -0.551 local terms energy: -487.758138 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -101.877 flat angles C4'-P-C4' energy: -115.063 flat angles P-C4'-P energy: -68.677 tors. eta vs tors. theta energy: -119.464 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: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1295.405481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.405481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.405481 (E_RNA) where: Base-Base interactions energy: -836.286 where: short stacking energy: -350.710 Base-Backbone interact. energy: -3.707 local terms energy: -455.412560 where: bonds (distance) C4'-P energy: -89.743 bonds (distance) P-C4' energy: -96.485 flat angles C4'-P-C4' energy: -118.827 flat angles P-C4'-P energy: -63.440 tors. eta vs tors. theta energy: -86.917 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1271.694401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.694401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.694401 (E_RNA) where: Base-Base interactions energy: -838.762 where: short stacking energy: -353.035 Base-Backbone interact. energy: -3.155 local terms energy: -429.777298 where: bonds (distance) C4'-P energy: -97.249 bonds (distance) P-C4' energy: -106.164 flat angles C4'-P-C4' energy: -93.200 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -73.470 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: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -566.774020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.774020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.774020 (E_RNA) where: Base-Base interactions energy: -232.806 where: short stacking energy: -163.928 Base-Backbone interact. energy: -2.631 local terms energy: -331.336623 where: bonds (distance) C4'-P energy: -91.652 bonds (distance) P-C4' energy: -96.033 flat angles C4'-P-C4' energy: -98.444 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: 11.772 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: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -527.289853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.289853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.289853 (E_RNA) where: Base-Base interactions energy: -220.896 where: short stacking energy: -168.232 Base-Backbone interact. energy: 10.226 local terms energy: -316.619694 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -93.890 flat angles P-C4'-P energy: -54.422 tors. eta vs tors. theta energy: 14.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2104.995829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.995829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.995829 (E_RNA) where: Base-Base interactions energy: -1445.947 where: short stacking energy: -632.294 Base-Backbone interact. energy: -3.981 local terms energy: -655.067572 where: bonds (distance) C4'-P energy: -120.443 bonds (distance) P-C4' energy: -116.237 flat angles C4'-P-C4' energy: -135.396 flat angles P-C4'-P energy: -96.871 tors. eta vs tors. theta energy: -186.122 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: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2013.497185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.497185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.497185 (E_RNA) where: Base-Base interactions energy: -1378.008 where: short stacking energy: -561.101 Base-Backbone interact. energy: -4.493 local terms energy: -630.996929 where: bonds (distance) C4'-P energy: -119.612 bonds (distance) P-C4' energy: -118.502 flat angles C4'-P-C4' energy: -143.994 flat angles P-C4'-P energy: -81.120 tors. eta vs tors. theta energy: -167.770 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: 252 Temperature: 1.000000 Total energy: -1968.052261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.052261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.052261 (E_RNA) where: Base-Base interactions energy: -1358.975 where: short stacking energy: -566.441 Base-Backbone interact. energy: -2.125 local terms energy: -606.952038 where: bonds (distance) C4'-P energy: -103.073 bonds (distance) P-C4' energy: -112.699 flat angles C4'-P-C4' energy: -128.537 flat angles P-C4'-P energy: -88.513 tors. eta vs tors. theta energy: -174.131 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: 252 Temperature: 1.050000 Total energy: -1864.875299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.875299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.875299 (E_RNA) where: Base-Base interactions energy: -1287.027 where: short stacking energy: -538.517 Base-Backbone interact. energy: -3.587 local terms energy: -574.261666 where: bonds (distance) C4'-P energy: -101.849 bonds (distance) P-C4' energy: -113.248 flat angles C4'-P-C4' energy: -119.607 flat angles P-C4'-P energy: -91.639 tors. eta vs tors. theta energy: -147.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1696.221454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.221454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.221454 (E_RNA) where: Base-Base interactions energy: -1190.440 where: short stacking energy: -486.107 Base-Backbone interact. energy: 2.143 local terms energy: -507.924521 where: bonds (distance) C4'-P energy: -109.673 bonds (distance) P-C4' energy: -102.388 flat angles C4'-P-C4' energy: -119.176 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -123.232 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: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1503.088980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.088980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.088980 (E_RNA) where: Base-Base interactions energy: -984.988 where: short stacking energy: -434.325 Base-Backbone interact. energy: -3.349 local terms energy: -514.751271 where: bonds (distance) C4'-P energy: -94.752 bonds (distance) P-C4' energy: -110.675 flat angles C4'-P-C4' energy: -117.610 flat angles P-C4'-P energy: -80.839 tors. eta vs tors. theta energy: -110.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1405.041138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.041138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.041138 (E_RNA) where: Base-Base interactions energy: -929.751 where: short stacking energy: -397.178 Base-Backbone interact. energy: 2.228 local terms energy: -477.518110 where: bonds (distance) C4'-P energy: -107.781 bonds (distance) P-C4' energy: -101.986 flat angles C4'-P-C4' energy: -115.306 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -83.463 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: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1190.275021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.275021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.275021 (E_RNA) where: Base-Base interactions energy: -765.157 where: short stacking energy: -321.339 Base-Backbone interact. energy: 3.608 local terms energy: -428.726166 where: bonds (distance) C4'-P energy: -100.494 bonds (distance) P-C4' energy: -92.027 flat angles C4'-P-C4' energy: -98.444 flat angles P-C4'-P energy: -64.994 tors. eta vs tors. theta energy: -72.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -601.993604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.993604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.993604 (E_RNA) where: Base-Base interactions energy: -283.401 where: short stacking energy: -184.719 Base-Backbone interact. energy: -2.004 local terms energy: -316.588695 where: bonds (distance) C4'-P energy: -103.419 bonds (distance) P-C4' energy: -103.194 flat angles C4'-P-C4' energy: -67.531 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: 1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -537.367734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.367734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.367734 (E_RNA) where: Base-Base interactions energy: -220.647 where: short stacking energy: -167.152 Base-Backbone interact. energy: -0.903 local terms energy: -315.818206 where: bonds (distance) C4'-P energy: -84.010 bonds (distance) P-C4' energy: -84.183 flat angles C4'-P-C4' energy: -98.851 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: 7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2083.026724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.026724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.026724 (E_RNA) where: Base-Base interactions energy: -1438.115 where: short stacking energy: -612.228 Base-Backbone interact. energy: -3.711 local terms energy: -641.201447 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -118.154 flat angles C4'-P-C4' energy: -144.164 flat angles P-C4'-P energy: -85.970 tors. eta vs tors. theta energy: -181.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2016.686461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.686461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.686461 (E_RNA) where: Base-Base interactions energy: -1419.968 where: short stacking energy: -592.009 Base-Backbone interact. energy: -3.267 local terms energy: -593.451940 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -100.570 flat angles C4'-P-C4' energy: -130.960 flat angles P-C4'-P energy: -71.887 tors. eta vs tors. theta energy: -176.004 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: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1991.274003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.274003 (E_RNA) where: Base-Base interactions energy: -1382.423 where: short stacking energy: -561.780 Base-Backbone interact. energy: 0.879 local terms energy: -609.729913 where: bonds (distance) C4'-P energy: -108.144 bonds (distance) P-C4' energy: -111.385 flat angles C4'-P-C4' energy: -130.058 flat angles P-C4'-P energy: -89.646 tors. eta vs tors. theta energy: -170.497 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: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1904.915780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.915780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.915780 (E_RNA) where: Base-Base interactions energy: -1319.148 where: short stacking energy: -534.712 Base-Backbone interact. energy: -2.919 local terms energy: -582.848834 where: bonds (distance) C4'-P energy: -110.750 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -124.948 flat angles P-C4'-P energy: -87.221 tors. eta vs tors. theta energy: -153.126 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: 5, replica: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1712.176838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.176838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.176838 (E_RNA) where: Base-Base interactions energy: -1193.550 where: short stacking energy: -495.789 Base-Backbone interact. energy: -1.748 local terms energy: -516.878862 where: bonds (distance) C4'-P energy: -102.615 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -105.215 flat angles P-C4'-P energy: -81.558 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: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1502.630983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.630983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.630983 (E_RNA) where: Base-Base interactions energy: -989.566 where: short stacking energy: -435.996 Base-Backbone interact. energy: 0.915 local terms energy: -513.979931 where: bonds (distance) C4'-P energy: -113.186 bonds (distance) P-C4' energy: -89.141 flat angles C4'-P-C4' energy: -114.252 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -122.700 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: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1340.009176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.009176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.009176 (E_RNA) where: Base-Base interactions energy: -872.548 where: short stacking energy: -376.370 Base-Backbone interact. energy: 1.067 local terms energy: -468.528441 where: bonds (distance) C4'-P energy: -101.780 bonds (distance) P-C4' energy: -102.951 flat angles C4'-P-C4' energy: -106.439 flat angles P-C4'-P energy: -55.140 tors. eta vs tors. theta energy: -102.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1220.786685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.786685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.786685 (E_RNA) where: Base-Base interactions energy: -791.958 where: short stacking energy: -363.359 Base-Backbone interact. energy: 1.877 local terms energy: -430.706579 where: bonds (distance) C4'-P energy: -87.500 bonds (distance) P-C4' energy: -101.464 flat angles C4'-P-C4' energy: -93.828 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -80.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -603.552133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.552133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.552133 (E_RNA) where: Base-Base interactions energy: -244.538 where: short stacking energy: -164.763 Base-Backbone interact. energy: -2.913 local terms energy: -356.101416 where: bonds (distance) C4'-P energy: -110.117 bonds (distance) P-C4' energy: -93.258 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -49.080 tors. eta vs tors. theta energy: -12.636 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: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -545.616501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.616501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.616501 (E_RNA) where: Base-Base interactions energy: -206.508 where: short stacking energy: -144.163 Base-Backbone interact. energy: -1.546 local terms energy: -337.562515 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -114.294 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: 18.517 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: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2063.181272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.181272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.181272 (E_RNA) where: Base-Base interactions energy: -1437.490 where: short stacking energy: -618.227 Base-Backbone interact. energy: 0.646 local terms energy: -626.337293 where: bonds (distance) C4'-P energy: -103.734 bonds (distance) P-C4' energy: -109.334 flat angles C4'-P-C4' energy: -137.646 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -181.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2029.492772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.492772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.492772 (E_RNA) where: Base-Base interactions energy: -1386.051 where: short stacking energy: -604.206 Base-Backbone interact. energy: -3.684 local terms energy: -639.757201 where: bonds (distance) C4'-P energy: -111.540 bonds (distance) P-C4' energy: -119.565 flat angles C4'-P-C4' energy: -135.842 flat angles P-C4'-P energy: -83.961 tors. eta vs tors. theta energy: -188.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1994.836246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.836246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.836246 (E_RNA) where: Base-Base interactions energy: -1368.058 where: short stacking energy: -584.918 Base-Backbone interact. energy: -2.712 local terms energy: -624.065361 where: bonds (distance) C4'-P energy: -118.211 bonds (distance) P-C4' energy: -122.324 flat angles C4'-P-C4' energy: -129.916 flat angles P-C4'-P energy: -80.636 tors. eta vs tors. theta energy: -172.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1873.120448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.120448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.120448 (E_RNA) where: Base-Base interactions energy: -1289.578 where: short stacking energy: -535.899 Base-Backbone interact. energy: -2.747 local terms energy: -580.795415 where: bonds (distance) C4'-P energy: -108.393 bonds (distance) P-C4' energy: -111.441 flat angles C4'-P-C4' energy: -123.524 flat angles P-C4'-P energy: -80.130 tors. eta vs tors. theta energy: -157.308 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: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1696.616355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.616355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.616355 (E_RNA) where: Base-Base interactions energy: -1134.421 where: short stacking energy: -478.901 Base-Backbone interact. energy: -4.178 local terms energy: -558.017542 where: bonds (distance) C4'-P energy: -108.245 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -119.293 flat angles P-C4'-P energy: -87.715 tors. eta vs tors. theta energy: -135.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1480.488292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.488292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.488292 (E_RNA) where: Base-Base interactions energy: -976.386 where: short stacking energy: -439.524 Base-Backbone interact. energy: -0.863 local terms energy: -503.239319 where: bonds (distance) C4'-P energy: -104.256 bonds (distance) P-C4' energy: -99.191 flat angles C4'-P-C4' energy: -107.182 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -110.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1358.494136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.494136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.494136 (E_RNA) where: Base-Base interactions energy: -873.091 where: short stacking energy: -404.591 Base-Backbone interact. energy: -0.895 local terms energy: -484.507556 where: bonds (distance) C4'-P energy: -98.901 bonds (distance) P-C4' energy: -106.504 flat angles C4'-P-C4' energy: -114.048 flat angles P-C4'-P energy: -65.661 tors. eta vs tors. theta energy: -99.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1176.855228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.855228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.855228 (E_RNA) where: Base-Base interactions energy: -743.741 where: short stacking energy: -335.014 Base-Backbone interact. energy: -2.654 local terms energy: -430.460027 where: bonds (distance) C4'-P energy: -104.971 bonds (distance) P-C4' energy: -100.765 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -54.761 tors. eta vs tors. theta energy: -76.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -648.970268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.970268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.970268 (E_RNA) where: Base-Base interactions energy: -312.584 where: short stacking energy: -174.165 Base-Backbone interact. energy: -0.073 local terms energy: -336.313712 where: bonds (distance) C4'-P energy: -101.358 bonds (distance) P-C4' energy: -102.010 flat angles C4'-P-C4' energy: -89.463 flat angles P-C4'-P energy: -49.497 tors. eta vs tors. theta energy: 6.015 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: 254 Temperature: 1.350000 Total energy: -501.638905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.638905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.638905 (E_RNA) where: Base-Base interactions energy: -213.028 where: short stacking energy: -131.410 Base-Backbone interact. energy: -1.641 local terms energy: -286.969450 where: bonds (distance) C4'-P energy: -88.197 bonds (distance) P-C4' energy: -81.240 flat angles C4'-P-C4' energy: -84.471 flat angles P-C4'-P energy: -47.020 tors. eta vs tors. theta energy: 13.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2093.013029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.013029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.013029 (E_RNA) where: Base-Base interactions energy: -1439.693 where: short stacking energy: -611.014 Base-Backbone interact. energy: -4.073 local terms energy: -649.246508 where: bonds (distance) C4'-P energy: -125.958 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -129.640 flat angles P-C4'-P energy: -86.226 tors. eta vs tors. theta energy: -186.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2012.298654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.298654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.298654 (E_RNA) where: Base-Base interactions energy: -1379.732 where: short stacking energy: -581.276 Base-Backbone interact. energy: -2.730 local terms energy: -629.836594 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -130.602 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -71.137 tors. eta vs tors. theta energy: -176.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1995.639728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.639728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.639728 (E_RNA) where: Base-Base interactions energy: -1391.792 where: short stacking energy: -574.570 Base-Backbone interact. energy: -4.565 local terms energy: -599.282695 where: bonds (distance) C4'-P energy: -106.980 bonds (distance) P-C4' energy: -111.195 flat angles C4'-P-C4' energy: -125.763 flat angles P-C4'-P energy: -86.384 tors. eta vs tors. theta energy: -168.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1862.898176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.898176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.898176 (E_RNA) where: Base-Base interactions energy: -1297.766 where: short stacking energy: -513.376 Base-Backbone interact. energy: 0.715 local terms energy: -565.847010 where: bonds (distance) C4'-P energy: -95.151 bonds (distance) P-C4' energy: -116.556 flat angles C4'-P-C4' energy: -128.417 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -144.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1681.356639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.356639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.356639 (E_RNA) where: Base-Base interactions energy: -1152.951 where: short stacking energy: -485.566 Base-Backbone interact. energy: -2.971 local terms energy: -525.434540 where: bonds (distance) C4'-P energy: -86.006 bonds (distance) P-C4' energy: -111.269 flat angles C4'-P-C4' energy: -121.722 flat angles P-C4'-P energy: -75.759 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: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1498.153822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.153822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.153822 (E_RNA) where: Base-Base interactions energy: -985.367 where: short stacking energy: -450.151 Base-Backbone interact. energy: -3.883 local terms energy: -508.904372 where: bonds (distance) C4'-P energy: -103.265 bonds (distance) P-C4' energy: -111.925 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -65.100 tors. eta vs tors. theta energy: -113.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1284.000491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.000491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.000491 (E_RNA) where: Base-Base interactions energy: -828.650 where: short stacking energy: -345.752 Base-Backbone interact. energy: -4.942 local terms energy: -450.407824 where: bonds (distance) C4'-P energy: -115.894 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -106.533 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: -71.204 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: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1211.512786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.512786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.512786 (E_RNA) where: Base-Base interactions energy: -787.917 where: short stacking energy: -342.460 Base-Backbone interact. energy: -0.260 local terms energy: -423.335262 where: bonds (distance) C4'-P energy: -95.863 bonds (distance) P-C4' energy: -85.913 flat angles C4'-P-C4' energy: -111.077 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -69.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -648.171453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.171453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.171453 (E_RNA) where: Base-Base interactions energy: -325.310 where: short stacking energy: -207.129 Base-Backbone interact. energy: 6.102 local terms energy: -328.963782 where: bonds (distance) C4'-P energy: -81.919 bonds (distance) P-C4' energy: -101.421 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -44.217 tors. eta vs tors. theta energy: -20.153 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: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -538.886959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.886959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.886959 (E_RNA) where: Base-Base interactions energy: -218.020 where: short stacking energy: -153.924 Base-Backbone interact. energy: -0.980 local terms energy: -319.886753 where: bonds (distance) C4'-P energy: -98.380 bonds (distance) P-C4' energy: -115.601 flat angles C4'-P-C4' energy: -72.701 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: 11.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2083.348449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.348449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.348449 (E_RNA) where: Base-Base interactions energy: -1436.658 where: short stacking energy: -591.586 Base-Backbone interact. energy: -3.326 local terms energy: -643.364219 where: bonds (distance) C4'-P energy: -114.868 bonds (distance) P-C4' energy: -128.271 flat angles C4'-P-C4' energy: -134.677 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -178.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2045.727876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.727876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.727876 (E_RNA) where: Base-Base interactions energy: -1413.987 where: short stacking energy: -587.491 Base-Backbone interact. energy: -1.712 local terms energy: -630.028751 where: bonds (distance) C4'-P energy: -105.552 bonds (distance) P-C4' energy: -119.668 flat angles C4'-P-C4' energy: -133.121 flat angles P-C4'-P energy: -86.837 tors. eta vs tors. theta energy: -184.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1986.595681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.595681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.595681 (E_RNA) where: Base-Base interactions energy: -1397.159 where: short stacking energy: -554.235 Base-Backbone interact. energy: -0.493 local terms energy: -588.942933 where: bonds (distance) C4'-P energy: -99.030 bonds (distance) P-C4' energy: -111.506 flat angles C4'-P-C4' energy: -120.584 flat angles P-C4'-P energy: -95.552 tors. eta vs tors. theta energy: -162.271 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: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1827.977781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.977781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.977781 (E_RNA) where: Base-Base interactions energy: -1254.071 where: short stacking energy: -543.066 Base-Backbone interact. energy: 0.300 local terms energy: -574.206898 where: bonds (distance) C4'-P energy: -108.465 bonds (distance) P-C4' energy: -109.113 flat angles C4'-P-C4' energy: -116.763 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: -153.155 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: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1672.413544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.413544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.413544 (E_RNA) where: Base-Base interactions energy: -1164.153 where: short stacking energy: -506.445 Base-Backbone interact. energy: -4.114 local terms energy: -504.146532 where: bonds (distance) C4'-P energy: -85.842 bonds (distance) P-C4' energy: -105.444 flat angles C4'-P-C4' energy: -105.025 flat angles P-C4'-P energy: -75.845 tors. eta vs tors. theta energy: -131.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1496.831950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.831950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.831950 (E_RNA) where: Base-Base interactions energy: -972.112 where: short stacking energy: -430.195 Base-Backbone interact. energy: -0.387 local terms energy: -524.332819 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -110.206 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -83.400 tors. eta vs tors. theta energy: -119.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1324.171789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.171789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.171789 (E_RNA) where: Base-Base interactions energy: -849.212 where: short stacking energy: -360.149 Base-Backbone interact. energy: -0.719 local terms energy: -474.241486 where: bonds (distance) C4'-P energy: -97.933 bonds (distance) P-C4' energy: -100.945 flat angles C4'-P-C4' energy: -106.674 flat angles P-C4'-P energy: -74.431 tors. eta vs tors. theta energy: -94.258 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: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1162.511667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.511667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.511667 (E_RNA) where: Base-Base interactions energy: -761.278 where: short stacking energy: -343.427 Base-Backbone interact. energy: 1.332 local terms energy: -402.565516 where: bonds (distance) C4'-P energy: -97.129 bonds (distance) P-C4' energy: -101.510 flat angles C4'-P-C4' energy: -86.575 flat angles P-C4'-P energy: -56.877 tors. eta vs tors. theta energy: -60.475 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: 9, replica: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -660.780462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.780462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.780462 (E_RNA) where: Base-Base interactions energy: -332.117 where: short stacking energy: -188.905 Base-Backbone interact. energy: 14.712 local terms energy: -343.375212 where: bonds (distance) C4'-P energy: -93.256 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -80.279 flat angles P-C4'-P energy: -65.967 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -607.483525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.483525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.483525 (E_RNA) where: Base-Base interactions energy: -314.287 where: short stacking energy: -178.302 Base-Backbone interact. energy: -1.792 local terms energy: -291.403907 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -82.546 flat angles C4'-P-C4' energy: -84.331 flat angles P-C4'-P energy: -41.511 tors. eta vs tors. theta energy: 2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2099.402761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.402761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.402761 (E_RNA) where: Base-Base interactions energy: -1443.478 where: short stacking energy: -594.434 Base-Backbone interact. energy: -1.699 local terms energy: -654.226166 where: bonds (distance) C4'-P energy: -124.360 bonds (distance) P-C4' energy: -109.599 flat angles C4'-P-C4' energy: -136.995 flat angles P-C4'-P energy: -94.178 tors. eta vs tors. theta energy: -189.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2048.057340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.057340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.057340 (E_RNA) where: Base-Base interactions energy: -1429.807 where: short stacking energy: -589.159 Base-Backbone interact. energy: -1.182 local terms energy: -617.068481 where: bonds (distance) C4'-P energy: -113.629 bonds (distance) P-C4' energy: -115.688 flat angles C4'-P-C4' energy: -140.115 flat angles P-C4'-P energy: -83.981 tors. eta vs tors. theta energy: -163.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1957.506342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.506342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.506342 (E_RNA) where: Base-Base interactions energy: -1357.212 where: short stacking energy: -548.213 Base-Backbone interact. energy: 5.723 local terms energy: -606.017195 where: bonds (distance) C4'-P energy: -104.612 bonds (distance) P-C4' energy: -114.353 flat angles C4'-P-C4' energy: -128.767 flat angles P-C4'-P energy: -76.671 tors. eta vs tors. theta energy: -181.615 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: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1829.459200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.459200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.459200 (E_RNA) where: Base-Base interactions energy: -1265.572 where: short stacking energy: -518.518 Base-Backbone interact. energy: -3.661 local terms energy: -560.225901 where: bonds (distance) C4'-P energy: -98.108 bonds (distance) P-C4' energy: -111.607 flat angles C4'-P-C4' energy: -123.211 flat angles P-C4'-P energy: -78.806 tors. eta vs tors. theta energy: -148.493 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: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1669.153405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.153405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.153405 (E_RNA) where: Base-Base interactions energy: -1149.091 where: short stacking energy: -492.294 Base-Backbone interact. energy: -1.471 local terms energy: -518.590861 where: bonds (distance) C4'-P energy: -88.576 bonds (distance) P-C4' energy: -100.318 flat angles C4'-P-C4' energy: -122.910 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -126.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1523.136637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.136637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.136637 (E_RNA) where: Base-Base interactions energy: -984.942 where: short stacking energy: -465.423 Base-Backbone interact. energy: -3.646 local terms energy: -534.549062 where: bonds (distance) C4'-P energy: -109.631 bonds (distance) P-C4' energy: -102.307 flat angles C4'-P-C4' energy: -122.732 flat angles P-C4'-P energy: -68.506 tors. eta vs tors. theta energy: -131.372 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: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1377.681723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.681723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.681723 (E_RNA) where: Base-Base interactions energy: -921.631 where: short stacking energy: -386.142 Base-Backbone interact. energy: -0.762 local terms energy: -455.288931 where: bonds (distance) C4'-P energy: -84.662 bonds (distance) P-C4' energy: -111.441 flat angles C4'-P-C4' energy: -88.974 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -105.379 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1194.319828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.319828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.319828 (E_RNA) where: Base-Base interactions energy: -736.380 where: short stacking energy: -323.024 Base-Backbone interact. energy: -1.736 local terms energy: -456.203366 where: bonds (distance) C4'-P energy: -103.151 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -110.294 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -64.409 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: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -640.864607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.864607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.864607 (E_RNA) where: Base-Base interactions energy: -310.288 where: short stacking energy: -186.743 Base-Backbone interact. energy: -1.542 local terms energy: -329.035009 where: bonds (distance) C4'-P energy: -95.062 bonds (distance) P-C4' energy: -105.727 flat angles C4'-P-C4' energy: -84.751 flat angles P-C4'-P energy: -37.315 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -617.718366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.718366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.718366 (E_RNA) where: Base-Base interactions energy: -301.450 where: short stacking energy: -165.386 Base-Backbone interact. energy: 4.339 local terms energy: -320.606942 where: bonds (distance) C4'-P energy: -82.802 bonds (distance) P-C4' energy: -104.114 flat angles C4'-P-C4' energy: -98.619 flat angles P-C4'-P energy: -46.791 tors. eta vs tors. theta energy: 11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2106.229018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.229018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.229018 (E_RNA) where: Base-Base interactions energy: -1462.888 where: short stacking energy: -619.534 Base-Backbone interact. energy: -1.137 local terms energy: -642.204115 where: bonds (distance) C4'-P energy: -117.028 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -132.582 flat angles P-C4'-P energy: -85.942 tors. eta vs tors. theta energy: -186.656 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: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2045.780982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.780982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.780982 (E_RNA) where: Base-Base interactions energy: -1425.406 where: short stacking energy: -620.779 Base-Backbone interact. energy: -3.604 local terms energy: -616.771035 where: bonds (distance) C4'-P energy: -106.535 bonds (distance) P-C4' energy: -106.580 flat angles C4'-P-C4' energy: -126.704 flat angles P-C4'-P energy: -93.325 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: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1976.400560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.400560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.400560 (E_RNA) where: Base-Base interactions energy: -1371.341 where: short stacking energy: -565.688 Base-Backbone interact. energy: 2.235 local terms energy: -607.294877 where: bonds (distance) C4'-P energy: -119.275 bonds (distance) P-C4' energy: -113.217 flat angles C4'-P-C4' energy: -120.503 flat angles P-C4'-P energy: -79.690 tors. eta vs tors. theta energy: -174.610 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: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1832.037375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.037375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.037375 (E_RNA) where: Base-Base interactions energy: -1255.854 where: short stacking energy: -492.080 Base-Backbone interact. energy: -3.650 local terms energy: -572.532709 where: bonds (distance) C4'-P energy: -109.949 bonds (distance) P-C4' energy: -103.187 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -88.239 tors. eta vs tors. theta energy: -146.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1702.671835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.671835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.671835 (E_RNA) where: Base-Base interactions energy: -1132.556 where: short stacking energy: -505.075 Base-Backbone interact. energy: -6.460 local terms energy: -563.655297 where: bonds (distance) C4'-P energy: -93.219 bonds (distance) P-C4' energy: -109.886 flat angles C4'-P-C4' energy: -128.283 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -148.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1455.418768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.418768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.418768 (E_RNA) where: Base-Base interactions energy: -938.684 where: short stacking energy: -435.078 Base-Backbone interact. energy: -2.688 local terms energy: -514.046015 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -116.182 flat angles C4'-P-C4' energy: -122.016 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: -104.128 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: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1293.954939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.954939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.954939 (E_RNA) where: Base-Base interactions energy: -851.692 where: short stacking energy: -399.910 Base-Backbone interact. energy: -2.045 local terms energy: -440.217412 where: bonds (distance) C4'-P energy: -102.947 bonds (distance) P-C4' energy: -93.324 flat angles C4'-P-C4' energy: -99.088 flat angles P-C4'-P energy: -52.822 tors. eta vs tors. theta energy: -92.036 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: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1220.611083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.611083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.611083 (E_RNA) where: Base-Base interactions energy: -763.226 where: short stacking energy: -351.960 Base-Backbone interact. energy: 2.386 local terms energy: -459.770769 where: bonds (distance) C4'-P energy: -92.349 bonds (distance) P-C4' energy: -111.083 flat angles C4'-P-C4' energy: -121.084 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -75.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -733.178276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.178276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.178276 (E_RNA) where: Base-Base interactions energy: -417.565 where: short stacking energy: -222.487 Base-Backbone interact. energy: 2.102 local terms energy: -317.714793 where: bonds (distance) C4'-P energy: -89.501 bonds (distance) P-C4' energy: -105.922 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -47.263 tors. eta vs tors. theta energy: -3.438 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: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -605.282473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.282473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.282473 (E_RNA) where: Base-Base interactions energy: -293.364 where: short stacking energy: -175.297 Base-Backbone interact. energy: -2.239 local terms energy: -309.679550 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -101.989 flat angles C4'-P-C4' energy: -89.497 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: 13.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2073.442250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.442250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.442250 (E_RNA) where: Base-Base interactions energy: -1428.063 where: short stacking energy: -614.772 Base-Backbone interact. energy: -3.953 local terms energy: -641.426918 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -110.058 flat angles C4'-P-C4' energy: -132.224 flat angles P-C4'-P energy: -86.727 tors. eta vs tors. theta energy: -187.662 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: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2031.437675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.437675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.437675 (E_RNA) where: Base-Base interactions energy: -1399.030 where: short stacking energy: -611.464 Base-Backbone interact. energy: 0.417 local terms energy: -632.825359 where: bonds (distance) C4'-P energy: -118.288 bonds (distance) P-C4' energy: -118.434 flat angles C4'-P-C4' energy: -129.308 flat angles P-C4'-P energy: -90.257 tors. eta vs tors. theta energy: -176.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2004.519081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.519081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.519081 (E_RNA) where: Base-Base interactions energy: -1394.234 where: short stacking energy: -596.016 Base-Backbone interact. energy: -3.787 local terms energy: -606.498457 where: bonds (distance) C4'-P energy: -100.792 bonds (distance) P-C4' energy: -105.963 flat angles C4'-P-C4' energy: -134.518 flat angles P-C4'-P energy: -86.244 tors. eta vs tors. theta energy: -178.981 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: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1839.388245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.388245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.388245 (E_RNA) where: Base-Base interactions energy: -1277.312 where: short stacking energy: -532.501 Base-Backbone interact. energy: -3.866 local terms energy: -558.210526 where: bonds (distance) C4'-P energy: -109.901 bonds (distance) P-C4' energy: -102.831 flat angles C4'-P-C4' energy: -112.487 flat angles P-C4'-P energy: -89.882 tors. eta vs tors. theta energy: -143.109 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: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1762.144429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.144429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.144429 (E_RNA) where: Base-Base interactions energy: -1218.685 where: short stacking energy: -505.111 Base-Backbone interact. energy: -4.753 local terms energy: -538.706462 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -116.592 flat angles C4'-P-C4' energy: -120.520 flat angles P-C4'-P energy: -58.633 tors. eta vs tors. theta energy: -138.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1480.970880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.970880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.970880 (E_RNA) where: Base-Base interactions energy: -949.954 where: short stacking energy: -438.120 Base-Backbone interact. energy: -1.963 local terms energy: -529.054072 where: bonds (distance) C4'-P energy: -97.874 bonds (distance) P-C4' energy: -122.626 flat angles C4'-P-C4' energy: -115.809 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -113.615 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: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1283.842237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.842237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.842237 (E_RNA) where: Base-Base interactions energy: -833.142 where: short stacking energy: -366.134 Base-Backbone interact. energy: 1.237 local terms energy: -451.937707 where: bonds (distance) C4'-P energy: -94.545 bonds (distance) P-C4' energy: -106.772 flat angles C4'-P-C4' energy: -101.098 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -75.362 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: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1224.837352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.837352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.837352 (E_RNA) where: Base-Base interactions energy: -795.823 where: short stacking energy: -331.140 Base-Backbone interact. energy: 1.371 local terms energy: -430.386024 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -109.166 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: -65.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -765.689521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.689521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.689521 (E_RNA) where: Base-Base interactions energy: -417.310 where: short stacking energy: -225.534 Base-Backbone interact. energy: -1.674 local terms energy: -346.706451 where: bonds (distance) C4'-P energy: -82.968 bonds (distance) P-C4' energy: -98.064 flat angles C4'-P-C4' energy: -88.891 flat angles P-C4'-P energy: -57.836 tors. eta vs tors. theta energy: -18.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -578.189152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.189152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.189152 (E_RNA) where: Base-Base interactions energy: -250.046 where: short stacking energy: -177.384 Base-Backbone interact. energy: -1.915 local terms energy: -326.227891 where: bonds (distance) C4'-P energy: -88.729 bonds (distance) P-C4' energy: -97.468 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2078.779256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.779256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.779256 (E_RNA) where: Base-Base interactions energy: -1441.842 where: short stacking energy: -571.702 Base-Backbone interact. energy: -0.569 local terms energy: -636.367755 where: bonds (distance) C4'-P energy: -115.065 bonds (distance) P-C4' energy: -124.959 flat angles C4'-P-C4' energy: -126.919 flat angles P-C4'-P energy: -90.596 tors. eta vs tors. theta energy: -178.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2065.244080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.244080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.244080 (E_RNA) where: Base-Base interactions energy: -1426.636 where: short stacking energy: -618.408 Base-Backbone interact. energy: -4.828 local terms energy: -633.780162 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -112.751 flat angles C4'-P-C4' energy: -130.374 flat angles P-C4'-P energy: -88.628 tors. eta vs tors. theta energy: -189.933 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: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1958.422527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.422527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.422527 (E_RNA) where: Base-Base interactions energy: -1346.801 where: short stacking energy: -562.753 Base-Backbone interact. energy: -4.534 local terms energy: -607.087565 where: bonds (distance) C4'-P energy: -95.198 bonds (distance) P-C4' energy: -111.347 flat angles C4'-P-C4' energy: -131.034 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -184.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1814.245347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.245347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.245347 (E_RNA) where: Base-Base interactions energy: -1248.728 where: short stacking energy: -504.310 Base-Backbone interact. energy: 0.668 local terms energy: -566.185504 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -113.787 flat angles C4'-P-C4' energy: -127.383 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -146.157 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: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1726.371867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.371867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.371867 (E_RNA) where: Base-Base interactions energy: -1169.956 where: short stacking energy: -497.153 Base-Backbone interact. energy: -1.594 local terms energy: -554.822634 where: bonds (distance) C4'-P energy: -97.676 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -116.879 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -140.213 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: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1486.636252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.636252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.636252 (E_RNA) where: Base-Base interactions energy: -960.185 where: short stacking energy: -437.517 Base-Backbone interact. energy: -2.350 local terms energy: -524.100455 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -97.463 flat angles C4'-P-C4' energy: -116.872 flat angles P-C4'-P energy: -76.899 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: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1274.456649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.456649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.456649 (E_RNA) where: Base-Base interactions energy: -807.887 where: short stacking energy: -373.962 Base-Backbone interact. energy: 1.631 local terms energy: -468.200190 where: bonds (distance) C4'-P energy: -108.734 bonds (distance) P-C4' energy: -108.187 flat angles C4'-P-C4' energy: -106.439 flat angles P-C4'-P energy: -67.329 tors. eta vs tors. theta energy: -77.510 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: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1231.064093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.064093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.064093 (E_RNA) where: Base-Base interactions energy: -820.334 where: short stacking energy: -341.259 Base-Backbone interact. energy: 6.594 local terms energy: -417.323688 where: bonds (distance) C4'-P energy: -79.096 bonds (distance) P-C4' energy: -96.282 flat angles C4'-P-C4' energy: -96.809 flat angles P-C4'-P energy: -72.692 tors. eta vs tors. theta energy: -72.444 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: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -794.454883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.454883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.454883 (E_RNA) where: Base-Base interactions energy: -473.847 where: short stacking energy: -213.321 Base-Backbone interact. energy: 2.554 local terms energy: -323.161299 where: bonds (distance) C4'-P energy: -89.266 bonds (distance) P-C4' energy: -113.148 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -549.301768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.301768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.301768 (E_RNA) where: Base-Base interactions energy: -230.120 where: short stacking energy: -137.597 Base-Backbone interact. energy: 0.013 local terms energy: -319.194022 where: bonds (distance) C4'-P energy: -91.424 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -80.849 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: 1.953 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: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2056.421454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.421454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.421454 (E_RNA) where: Base-Base interactions energy: -1414.045 where: short stacking energy: -601.216 Base-Backbone interact. energy: -3.658 local terms energy: -638.719248 where: bonds (distance) C4'-P energy: -114.783 bonds (distance) P-C4' energy: -117.947 flat angles C4'-P-C4' energy: -133.306 flat angles P-C4'-P energy: -87.861 tors. eta vs tors. theta energy: -184.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2071.071643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.071643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.071643 (E_RNA) where: Base-Base interactions energy: -1438.635 where: short stacking energy: -631.126 Base-Backbone interact. energy: 1.094 local terms energy: -633.530773 where: bonds (distance) C4'-P energy: -102.664 bonds (distance) P-C4' energy: -117.038 flat angles C4'-P-C4' energy: -134.225 flat angles P-C4'-P energy: -86.246 tors. eta vs tors. theta energy: -193.359 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: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1977.707205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.707205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.707205 (E_RNA) where: Base-Base interactions energy: -1374.392 where: short stacking energy: -588.699 Base-Backbone interact. energy: -2.912 local terms energy: -600.403930 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -103.169 flat angles C4'-P-C4' energy: -128.855 flat angles P-C4'-P energy: -86.156 tors. eta vs tors. theta energy: -172.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1736.865450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.865450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.865450 (E_RNA) where: Base-Base interactions energy: -1183.675 where: short stacking energy: -493.521 Base-Backbone interact. energy: -5.143 local terms energy: -548.047884 where: bonds (distance) C4'-P energy: -119.189 bonds (distance) P-C4' energy: -106.231 flat angles C4'-P-C4' energy: -121.658 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -123.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1740.021631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.021631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.021631 (E_RNA) where: Base-Base interactions energy: -1188.607 where: short stacking energy: -483.627 Base-Backbone interact. energy: -2.522 local terms energy: -548.892220 where: bonds (distance) C4'-P energy: -108.700 bonds (distance) P-C4' energy: -104.259 flat angles C4'-P-C4' energy: -120.730 flat angles P-C4'-P energy: -87.759 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: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1542.626398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.626398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.626398 (E_RNA) where: Base-Base interactions energy: -1003.793 where: short stacking energy: -473.963 Base-Backbone interact. energy: 0.930 local terms energy: -539.763140 where: bonds (distance) C4'-P energy: -102.914 bonds (distance) P-C4' energy: -106.562 flat angles C4'-P-C4' energy: -115.576 flat angles P-C4'-P energy: -78.095 tors. eta vs tors. theta energy: -136.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1273.398789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.398789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.398789 (E_RNA) where: Base-Base interactions energy: -804.438 where: short stacking energy: -344.115 Base-Backbone interact. energy: 0.847 local terms energy: -469.807509 where: bonds (distance) C4'-P energy: -94.874 bonds (distance) P-C4' energy: -109.987 flat angles C4'-P-C4' energy: -94.809 flat angles P-C4'-P energy: -92.671 tors. eta vs tors. theta energy: -77.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1259.668071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.668071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.668071 (E_RNA) where: Base-Base interactions energy: -810.242 where: short stacking energy: -342.712 Base-Backbone interact. energy: -1.292 local terms energy: -448.133833 where: bonds (distance) C4'-P energy: -97.779 bonds (distance) P-C4' energy: -110.351 flat angles C4'-P-C4' energy: -93.863 flat angles P-C4'-P energy: -66.413 tors. eta vs tors. theta energy: -79.727 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: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -875.034532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.034532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.034532 (E_RNA) where: Base-Base interactions energy: -530.388 where: short stacking energy: -264.189 Base-Backbone interact. energy: -3.545 local terms energy: -341.102196 where: bonds (distance) C4'-P energy: -94.183 bonds (distance) P-C4' energy: -92.633 flat angles C4'-P-C4' energy: -87.668 flat angles P-C4'-P energy: -49.904 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: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -541.674630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.674630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.674630 (E_RNA) where: Base-Base interactions energy: -218.389 where: short stacking energy: -147.935 Base-Backbone interact. energy: 0.021 local terms energy: -323.307180 where: bonds (distance) C4'-P energy: -85.415 bonds (distance) P-C4' energy: -102.715 flat angles C4'-P-C4' energy: -88.836 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: 1.330 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: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2104.168456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.168456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.168456 (E_RNA) where: Base-Base interactions energy: -1434.890 where: short stacking energy: -622.930 Base-Backbone interact. energy: -1.261 local terms energy: -668.017745 where: bonds (distance) C4'-P energy: -118.373 bonds (distance) P-C4' energy: -125.192 flat angles C4'-P-C4' energy: -136.277 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -192.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2024.717508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.717508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.717508 (E_RNA) where: Base-Base interactions energy: -1414.321 where: short stacking energy: -602.843 Base-Backbone interact. energy: 1.596 local terms energy: -611.993156 where: bonds (distance) C4'-P energy: -124.691 bonds (distance) P-C4' energy: -112.870 flat angles C4'-P-C4' energy: -125.712 flat angles P-C4'-P energy: -68.169 tors. eta vs tors. theta energy: -180.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1969.739523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.739523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.739523 (E_RNA) where: Base-Base interactions energy: -1347.743 where: short stacking energy: -589.486 Base-Backbone interact. energy: -1.406 local terms energy: -620.590071 where: bonds (distance) C4'-P energy: -113.659 bonds (distance) P-C4' energy: -117.463 flat angles C4'-P-C4' energy: -124.987 flat angles P-C4'-P energy: -83.094 tors. eta vs tors. theta energy: -181.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1738.432873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.432873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.432873 (E_RNA) where: Base-Base interactions energy: -1177.746 where: short stacking energy: -504.757 Base-Backbone interact. energy: -4.032 local terms energy: -556.655091 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -120.063 flat angles C4'-P-C4' energy: -111.587 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -139.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1761.478196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.478196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.478196 (E_RNA) where: Base-Base interactions energy: -1215.148 where: short stacking energy: -489.898 Base-Backbone interact. energy: 2.433 local terms energy: -548.763625 where: bonds (distance) C4'-P energy: -104.170 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -114.818 flat angles P-C4'-P energy: -80.951 tors. eta vs tors. theta energy: -137.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1509.211259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.211259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.211259 (E_RNA) where: Base-Base interactions energy: -986.383 where: short stacking energy: -435.568 Base-Backbone interact. energy: -0.320 local terms energy: -522.507618 where: bonds (distance) C4'-P energy: -88.176 bonds (distance) P-C4' energy: -105.133 flat angles C4'-P-C4' energy: -127.356 flat angles P-C4'-P energy: -75.259 tors. eta vs tors. theta energy: -126.585 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: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1261.350829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.350829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.350829 (E_RNA) where: Base-Base interactions energy: -804.693 where: short stacking energy: -377.908 Base-Backbone interact. energy: 7.441 local terms energy: -464.099356 where: bonds (distance) C4'-P energy: -82.296 bonds (distance) P-C4' energy: -105.792 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -84.187 tors. eta vs tors. theta energy: -83.809 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: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1131.378422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.378422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.378422 (E_RNA) where: Base-Base interactions energy: -710.031 where: short stacking energy: -293.825 Base-Backbone interact. energy: -2.736 local terms energy: -418.612349 where: bonds (distance) C4'-P energy: -100.628 bonds (distance) P-C4' energy: -103.722 flat angles C4'-P-C4' energy: -101.807 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -57.584 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: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -814.268634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.268634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.268634 (E_RNA) where: Base-Base interactions energy: -482.088 where: short stacking energy: -225.197 Base-Backbone interact. energy: 0.157 local terms energy: -332.337150 where: bonds (distance) C4'-P energy: -81.311 bonds (distance) P-C4' energy: -87.414 flat angles C4'-P-C4' energy: -77.251 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: -22.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -534.414489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.414489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.414489 (E_RNA) where: Base-Base interactions energy: -223.338 where: short stacking energy: -158.778 Base-Backbone interact. energy: -1.485 local terms energy: -309.591190 where: bonds (distance) C4'-P energy: -88.452 bonds (distance) P-C4' energy: -107.295 flat angles C4'-P-C4' energy: -78.602 flat angles P-C4'-P energy: -36.756 tors. eta vs tors. theta energy: 1.514 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: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2112.807321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.807321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.807321 (E_RNA) where: Base-Base interactions energy: -1463.646 where: short stacking energy: -628.717 Base-Backbone interact. energy: -2.957 local terms energy: -646.204582 where: bonds (distance) C4'-P energy: -113.434 bonds (distance) P-C4' energy: -119.099 flat angles C4'-P-C4' energy: -142.058 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -183.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2025.202061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.202061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.202061 (E_RNA) where: Base-Base interactions energy: -1389.024 where: short stacking energy: -589.299 Base-Backbone interact. energy: -2.678 local terms energy: -633.500637 where: bonds (distance) C4'-P energy: -102.361 bonds (distance) P-C4' energy: -121.659 flat angles C4'-P-C4' energy: -139.916 flat angles P-C4'-P energy: -78.351 tors. eta vs tors. theta energy: -191.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1973.531807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.531807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.531807 (E_RNA) where: Base-Base interactions energy: -1354.711 where: short stacking energy: -584.948 Base-Backbone interact. energy: -3.159 local terms energy: -615.661125 where: bonds (distance) C4'-P energy: -107.836 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -126.991 flat angles P-C4'-P energy: -73.664 tors. eta vs tors. theta energy: -177.457 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: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1795.768409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.768409 (E_RNA) where: Base-Base interactions energy: -1238.103 where: short stacking energy: -511.509 Base-Backbone interact. energy: -4.147 local terms energy: -553.518971 where: bonds (distance) C4'-P energy: -109.734 bonds (distance) P-C4' energy: -112.405 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -130.339 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: 5, replica: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1720.519584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.519584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.519584 (E_RNA) where: Base-Base interactions energy: -1175.426 where: short stacking energy: -505.665 Base-Backbone interact. energy: 0.941 local terms energy: -546.034888 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -110.070 flat angles C4'-P-C4' energy: -114.661 flat angles P-C4'-P energy: -86.445 tors. eta vs tors. theta energy: -136.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1519.160369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.160369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.160369 (E_RNA) where: Base-Base interactions energy: -980.021 where: short stacking energy: -469.677 Base-Backbone interact. energy: 1.855 local terms energy: -540.994268 where: bonds (distance) C4'-P energy: -98.927 bonds (distance) P-C4' energy: -108.211 flat angles C4'-P-C4' energy: -117.765 flat angles P-C4'-P energy: -83.561 tors. eta vs tors. theta energy: -132.530 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: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1286.424078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.424078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.424078 (E_RNA) where: Base-Base interactions energy: -853.074 where: short stacking energy: -387.359 Base-Backbone interact. energy: -1.250 local terms energy: -432.099371 where: bonds (distance) C4'-P energy: -81.462 bonds (distance) P-C4' energy: -99.699 flat angles C4'-P-C4' energy: -97.393 flat angles P-C4'-P energy: -69.115 tors. eta vs tors. theta energy: -84.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1151.332004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.332004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.332004 (E_RNA) where: Base-Base interactions energy: -720.507 where: short stacking energy: -317.279 Base-Backbone interact. energy: 0.476 local terms energy: -431.300468 where: bonds (distance) C4'-P energy: -88.271 bonds (distance) P-C4' energy: -100.633 flat angles C4'-P-C4' energy: -110.843 flat angles P-C4'-P energy: -62.772 tors. eta vs tors. theta energy: -68.780 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: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -841.118288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.118288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.118288 (E_RNA) where: Base-Base interactions energy: -451.680 where: short stacking energy: -216.121 Base-Backbone interact. energy: -2.002 local terms energy: -387.435760 where: bonds (distance) C4'-P energy: -98.860 bonds (distance) P-C4' energy: -112.660 flat angles C4'-P-C4' energy: -97.948 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -20.733 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: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -511.873418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.873418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.873418 (E_RNA) where: Base-Base interactions energy: -207.351 where: short stacking energy: -144.669 Base-Backbone interact. energy: -2.805 local terms energy: -301.716989 where: bonds (distance) C4'-P energy: -77.911 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -90.382 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: 4.237 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: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2094.315784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.315784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.315784 (E_RNA) where: Base-Base interactions energy: -1446.533 where: short stacking energy: -632.052 Base-Backbone interact. energy: -3.264 local terms energy: -644.518672 where: bonds (distance) C4'-P energy: -113.069 bonds (distance) P-C4' energy: -118.682 flat angles C4'-P-C4' energy: -128.093 flat angles P-C4'-P energy: -101.009 tors. eta vs tors. theta energy: -183.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2032.507383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.507383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.507383 (E_RNA) where: Base-Base interactions energy: -1408.196 where: short stacking energy: -613.121 Base-Backbone interact. energy: -2.732 local terms energy: -621.579479 where: bonds (distance) C4'-P energy: -98.120 bonds (distance) P-C4' energy: -113.568 flat angles C4'-P-C4' energy: -130.286 flat angles P-C4'-P energy: -92.521 tors. eta vs tors. theta energy: -187.086 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: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1966.706951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.706951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.706951 (E_RNA) where: Base-Base interactions energy: -1350.294 where: short stacking energy: -588.282 Base-Backbone interact. energy: -1.899 local terms energy: -614.514566 where: bonds (distance) C4'-P energy: -106.846 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -133.760 flat angles P-C4'-P energy: -83.179 tors. eta vs tors. theta energy: -173.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1826.283737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.283737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.283737 (E_RNA) where: Base-Base interactions energy: -1254.126 where: short stacking energy: -540.963 Base-Backbone interact. energy: 0.653 local terms energy: -572.810591 where: bonds (distance) C4'-P energy: -98.358 bonds (distance) P-C4' energy: -107.296 flat angles C4'-P-C4' energy: -120.007 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -160.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1676.999550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.999550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.999550 (E_RNA) where: Base-Base interactions energy: -1146.377 where: short stacking energy: -494.832 Base-Backbone interact. energy: 3.756 local terms energy: -534.378990 where: bonds (distance) C4'-P energy: -119.417 bonds (distance) P-C4' energy: -106.763 flat angles C4'-P-C4' energy: -99.614 flat angles P-C4'-P energy: -72.833 tors. eta vs tors. theta energy: -135.753 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: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1502.543093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.543093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.543093 (E_RNA) where: Base-Base interactions energy: -1012.203 where: short stacking energy: -450.908 Base-Backbone interact. energy: 2.779 local terms energy: -493.119118 where: bonds (distance) C4'-P energy: -104.522 bonds (distance) P-C4' energy: -109.284 flat angles C4'-P-C4' energy: -105.038 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -107.740 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: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1325.803460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.803460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.803460 (E_RNA) where: Base-Base interactions energy: -875.118 where: short stacking energy: -398.503 Base-Backbone interact. energy: -0.476 local terms energy: -450.208976 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -105.601 flat angles C4'-P-C4' energy: -102.394 flat angles P-C4'-P energy: -70.391 tors. eta vs tors. theta energy: -95.431 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: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1124.940819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.940819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.940819 (E_RNA) where: Base-Base interactions energy: -708.871 where: short stacking energy: -309.374 Base-Backbone interact. energy: -2.111 local terms energy: -413.959277 where: bonds (distance) C4'-P energy: -102.831 bonds (distance) P-C4' energy: -100.799 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -53.721 tors. eta vs tors. theta energy: -58.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -864.506347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.506347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.506347 (E_RNA) where: Base-Base interactions energy: -500.537 where: short stacking energy: -242.450 Base-Backbone interact. energy: -1.975 local terms energy: -361.993819 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -111.455 flat angles C4'-P-C4' energy: -79.191 flat angles P-C4'-P energy: -52.660 tors. eta vs tors. theta energy: -27.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -517.514112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.514112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.514112 (E_RNA) where: Base-Base interactions energy: -234.006 where: short stacking energy: -141.738 Base-Backbone interact. energy: 3.313 local terms energy: -286.820692 where: bonds (distance) C4'-P energy: -98.338 bonds (distance) P-C4' energy: -109.433 flat angles C4'-P-C4' energy: -70.154 flat angles P-C4'-P energy: -30.166 tors. eta vs tors. theta energy: 21.270 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: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2106.367616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.367616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.367616 (E_RNA) where: Base-Base interactions energy: -1451.845 where: short stacking energy: -633.921 Base-Backbone interact. energy: -2.987 local terms energy: -651.535633 where: bonds (distance) C4'-P energy: -106.067 bonds (distance) P-C4' energy: -119.837 flat angles C4'-P-C4' energy: -134.087 flat angles P-C4'-P energy: -100.610 tors. eta vs tors. theta energy: -190.935 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: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2043.237375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.237375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.237375 (E_RNA) where: Base-Base interactions energy: -1398.356 where: short stacking energy: -600.802 Base-Backbone interact. energy: 0.278 local terms energy: -645.159328 where: bonds (distance) C4'-P energy: -123.985 bonds (distance) P-C4' energy: -118.059 flat angles C4'-P-C4' energy: -133.186 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -188.806 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: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1993.999858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.999858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.999858 (E_RNA) where: Base-Base interactions energy: -1381.897 where: short stacking energy: -573.257 Base-Backbone interact. energy: -4.449 local terms energy: -607.653882 where: bonds (distance) C4'-P energy: -101.184 bonds (distance) P-C4' energy: -118.681 flat angles C4'-P-C4' energy: -136.398 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -174.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1846.565117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.565117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.565117 (E_RNA) where: Base-Base interactions energy: -1265.781 where: short stacking energy: -518.807 Base-Backbone interact. energy: -3.486 local terms energy: -577.298016 where: bonds (distance) C4'-P energy: -104.113 bonds (distance) P-C4' energy: -119.639 flat angles C4'-P-C4' energy: -133.789 flat angles P-C4'-P energy: -77.368 tors. eta vs tors. theta energy: -142.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1690.737472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.737472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.737472 (E_RNA) where: Base-Base interactions energy: -1177.044 where: short stacking energy: -492.917 Base-Backbone interact. energy: -2.583 local terms energy: -511.110717 where: bonds (distance) C4'-P energy: -105.792 bonds (distance) P-C4' energy: -107.837 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -60.515 tors. eta vs tors. theta energy: -122.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1493.587814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.587814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.587814 (E_RNA) where: Base-Base interactions energy: -983.992 where: short stacking energy: -456.739 Base-Backbone interact. energy: 1.771 local terms energy: -511.366749 where: bonds (distance) C4'-P energy: -103.496 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -121.472 flat angles P-C4'-P energy: -71.097 tors. eta vs tors. theta energy: -117.349 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: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1318.216088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.216088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.216088 (E_RNA) where: Base-Base interactions energy: -874.440 where: short stacking energy: -385.442 Base-Backbone interact. energy: 1.582 local terms energy: -445.357543 where: bonds (distance) C4'-P energy: -94.471 bonds (distance) P-C4' energy: -113.861 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -50.897 tors. eta vs tors. theta energy: -80.455 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: 265 Temperature: 1.250000 Total energy: -1166.499030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.499030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.499030 (E_RNA) where: Base-Base interactions energy: -734.343 where: short stacking energy: -354.903 Base-Backbone interact. energy: 1.943 local terms energy: -434.099110 where: bonds (distance) C4'-P energy: -87.892 bonds (distance) P-C4' energy: -96.355 flat angles C4'-P-C4' energy: -119.529 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -61.604 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: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -902.800511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.800511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.800511 (E_RNA) where: Base-Base interactions energy: -540.756 where: short stacking energy: -254.528 Base-Backbone interact. energy: -1.660 local terms energy: -360.384259 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -90.505 flat angles C4'-P-C4' energy: -90.340 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -538.663078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.663078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.663078 (E_RNA) where: Base-Base interactions energy: -215.077 where: short stacking energy: -152.549 Base-Backbone interact. energy: 14.267 local terms energy: -337.852805 where: bonds (distance) C4'-P energy: -92.937 bonds (distance) P-C4' energy: -114.180 flat angles C4'-P-C4' energy: -86.481 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: 6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2139.855776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.855776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.855776 (E_RNA) where: Base-Base interactions energy: -1461.460 where: short stacking energy: -631.415 Base-Backbone interact. energy: -1.278 local terms energy: -677.117596 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -126.312 flat angles C4'-P-C4' energy: -143.859 flat angles P-C4'-P energy: -92.302 tors. eta vs tors. theta energy: -189.161 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: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2056.971261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.971261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.971261 (E_RNA) where: Base-Base interactions energy: -1411.333 where: short stacking energy: -609.451 Base-Backbone interact. energy: -4.436 local terms energy: -641.201740 where: bonds (distance) C4'-P energy: -115.627 bonds (distance) P-C4' energy: -117.086 flat angles C4'-P-C4' energy: -135.137 flat angles P-C4'-P energy: -89.590 tors. eta vs tors. theta energy: -183.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1974.603602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.603602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.603602 (E_RNA) where: Base-Base interactions energy: -1358.827 where: short stacking energy: -584.283 Base-Backbone interact. energy: -3.346 local terms energy: -612.431142 where: bonds (distance) C4'-P energy: -104.848 bonds (distance) P-C4' energy: -110.930 flat angles C4'-P-C4' energy: -122.407 flat angles P-C4'-P energy: -83.320 tors. eta vs tors. theta energy: -190.925 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: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1851.908963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.908963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.908963 (E_RNA) where: Base-Base interactions energy: -1294.371 where: short stacking energy: -532.953 Base-Backbone interact. energy: -1.868 local terms energy: -555.669440 where: bonds (distance) C4'-P energy: -102.081 bonds (distance) P-C4' energy: -102.844 flat angles C4'-P-C4' energy: -126.598 flat angles P-C4'-P energy: -82.766 tors. eta vs tors. theta energy: -141.380 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: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1681.625769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.625769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.625769 (E_RNA) where: Base-Base interactions energy: -1163.449 where: short stacking energy: -501.036 Base-Backbone interact. energy: -0.572 local terms energy: -517.605357 where: bonds (distance) C4'-P energy: -98.265 bonds (distance) P-C4' energy: -91.262 flat angles C4'-P-C4' energy: -122.069 flat angles P-C4'-P energy: -75.408 tors. eta vs tors. theta energy: -130.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1471.374819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.374819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.374819 (E_RNA) where: Base-Base interactions energy: -955.586 where: short stacking energy: -420.585 Base-Backbone interact. energy: -0.393 local terms energy: -515.395464 where: bonds (distance) C4'-P energy: -115.021 bonds (distance) P-C4' energy: -113.002 flat angles C4'-P-C4' energy: -106.681 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -103.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1265.395869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.395869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.395869 (E_RNA) where: Base-Base interactions energy: -813.868 where: short stacking energy: -354.279 Base-Backbone interact. energy: -1.337 local terms energy: -450.190209 where: bonds (distance) C4'-P energy: -67.233 bonds (distance) P-C4' energy: -119.627 flat angles C4'-P-C4' energy: -101.628 flat angles P-C4'-P energy: -71.383 tors. eta vs tors. theta energy: -90.320 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: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1053.957238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.957238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.957238 (E_RNA) where: Base-Base interactions energy: -642.271 where: short stacking energy: -287.712 Base-Backbone interact. energy: 2.503 local terms energy: -414.189626 where: bonds (distance) C4'-P energy: -102.884 bonds (distance) P-C4' energy: -101.695 flat angles C4'-P-C4' energy: -91.177 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -55.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -881.321087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.321087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.321087 (E_RNA) where: Base-Base interactions energy: -521.787 where: short stacking energy: -253.746 Base-Backbone interact. energy: -2.008 local terms energy: -357.526859 where: bonds (distance) C4'-P energy: -106.863 bonds (distance) P-C4' energy: -80.581 flat angles C4'-P-C4' energy: -88.288 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -32.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -461.077782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.077782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.077782 (E_RNA) where: Base-Base interactions energy: -156.964 where: short stacking energy: -112.357 Base-Backbone interact. energy: 3.426 local terms energy: -307.539330 where: bonds (distance) C4'-P energy: -87.688 bonds (distance) P-C4' energy: -99.065 flat angles C4'-P-C4' energy: -96.003 flat angles P-C4'-P energy: -52.443 tors. eta vs tors. theta energy: 27.659 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: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2119.982114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.982114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.982114 (E_RNA) where: Base-Base interactions energy: -1467.573 where: short stacking energy: -632.267 Base-Backbone interact. energy: 0.045 local terms energy: -652.454384 where: bonds (distance) C4'-P energy: -114.809 bonds (distance) P-C4' energy: -116.558 flat angles C4'-P-C4' energy: -130.219 flat angles P-C4'-P energy: -96.875 tors. eta vs tors. theta energy: -193.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2031.912039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.912039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.912039 (E_RNA) where: Base-Base interactions energy: -1413.470 where: short stacking energy: -601.941 Base-Backbone interact. energy: -2.720 local terms energy: -615.722303 where: bonds (distance) C4'-P energy: -103.930 bonds (distance) P-C4' energy: -119.657 flat angles C4'-P-C4' energy: -126.197 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -174.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1989.095118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.095118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.095118 (E_RNA) where: Base-Base interactions energy: -1372.477 where: short stacking energy: -593.359 Base-Backbone interact. energy: -0.610 local terms energy: -616.007694 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -101.631 flat angles C4'-P-C4' energy: -122.965 flat angles P-C4'-P energy: -99.443 tors. eta vs tors. theta energy: -174.487 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: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1860.734608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.734608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.734608 (E_RNA) where: Base-Base interactions energy: -1286.889 where: short stacking energy: -527.095 Base-Backbone interact. energy: -3.400 local terms energy: -570.445247 where: bonds (distance) C4'-P energy: -106.374 bonds (distance) P-C4' energy: -113.456 flat angles C4'-P-C4' energy: -138.666 flat angles P-C4'-P energy: -65.585 tors. eta vs tors. theta energy: -146.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1654.930866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.930866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.930866 (E_RNA) where: Base-Base interactions energy: -1113.933 where: short stacking energy: -473.300 Base-Backbone interact. energy: -3.346 local terms energy: -537.651815 where: bonds (distance) C4'-P energy: -111.298 bonds (distance) P-C4' energy: -118.809 flat angles C4'-P-C4' energy: -115.867 flat angles P-C4'-P energy: -69.906 tors. eta vs tors. theta energy: -121.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1467.405090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.405090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.405090 (E_RNA) where: Base-Base interactions energy: -957.721 where: short stacking energy: -442.187 Base-Backbone interact. energy: -1.552 local terms energy: -508.131894 where: bonds (distance) C4'-P energy: -108.511 bonds (distance) P-C4' energy: -104.037 flat angles C4'-P-C4' energy: -103.284 flat angles P-C4'-P energy: -78.034 tors. eta vs tors. theta energy: -114.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1217.444190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.444190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.444190 (E_RNA) where: Base-Base interactions energy: -770.808 where: short stacking energy: -330.213 Base-Backbone interact. energy: -3.509 local terms energy: -443.127076 where: bonds (distance) C4'-P energy: -112.342 bonds (distance) P-C4' energy: -100.539 flat angles C4'-P-C4' energy: -95.913 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: -80.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1006.859064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.859064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.859064 (E_RNA) where: Base-Base interactions energy: -598.906 where: short stacking energy: -290.221 Base-Backbone interact. energy: -3.956 local terms energy: -403.996264 where: bonds (distance) C4'-P energy: -115.512 bonds (distance) P-C4' energy: -91.562 flat angles C4'-P-C4' energy: -93.395 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -46.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -880.727224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.727224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.727224 (E_RNA) where: Base-Base interactions energy: -499.794 where: short stacking energy: -230.331 Base-Backbone interact. energy: -2.301 local terms energy: -378.632967 where: bonds (distance) C4'-P energy: -110.243 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: -30.431 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: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -467.396764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.396764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.396764 (E_RNA) where: Base-Base interactions energy: -173.127 where: short stacking energy: -141.605 Base-Backbone interact. energy: -1.734 local terms energy: -292.535264 where: bonds (distance) C4'-P energy: -88.173 bonds (distance) P-C4' energy: -113.790 flat angles C4'-P-C4' energy: -76.881 flat angles P-C4'-P energy: -44.760 tors. eta vs tors. theta energy: 31.069 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: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2120.430791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.430791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.430791 (E_RNA) where: Base-Base interactions energy: -1462.678 where: short stacking energy: -619.943 Base-Backbone interact. energy: -2.498 local terms energy: -655.254230 where: bonds (distance) C4'-P energy: -128.163 bonds (distance) P-C4' energy: -114.152 flat angles C4'-P-C4' energy: -137.633 flat angles P-C4'-P energy: -83.992 tors. eta vs tors. theta energy: -191.314 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: 268 Temperature: 0.950000 Total energy: -2040.576096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.576096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.576096 (E_RNA) where: Base-Base interactions energy: -1407.433 where: short stacking energy: -592.800 Base-Backbone interact. energy: 1.692 local terms energy: -634.835783 where: bonds (distance) C4'-P energy: -116.967 bonds (distance) P-C4' energy: -104.828 flat angles C4'-P-C4' energy: -128.815 flat angles P-C4'-P energy: -92.013 tors. eta vs tors. theta energy: -192.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2002.756087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.756087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.756087 (E_RNA) where: Base-Base interactions energy: -1372.511 where: short stacking energy: -566.437 Base-Backbone interact. energy: -1.795 local terms energy: -628.449660 where: bonds (distance) C4'-P energy: -114.653 bonds (distance) P-C4' energy: -123.714 flat angles C4'-P-C4' energy: -130.982 flat angles P-C4'-P energy: -81.211 tors. eta vs tors. theta energy: -177.890 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: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1868.514677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.514677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.514677 (E_RNA) where: Base-Base interactions energy: -1266.003 where: short stacking energy: -545.368 Base-Backbone interact. energy: -0.029 local terms energy: -602.482403 where: bonds (distance) C4'-P energy: -118.814 bonds (distance) P-C4' energy: -113.102 flat angles C4'-P-C4' energy: -114.009 flat angles P-C4'-P energy: -91.722 tors. eta vs tors. theta energy: -164.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1597.637823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.637823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.637823 (E_RNA) where: Base-Base interactions energy: -1105.087 where: short stacking energy: -451.647 Base-Backbone interact. energy: -0.637 local terms energy: -491.913886 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -97.700 flat angles C4'-P-C4' energy: -96.714 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -120.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1493.058883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.058883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.058883 (E_RNA) where: Base-Base interactions energy: -979.405 where: short stacking energy: -446.273 Base-Backbone interact. energy: -2.019 local terms energy: -511.635289 where: bonds (distance) C4'-P energy: -110.169 bonds (distance) P-C4' energy: -109.262 flat angles C4'-P-C4' energy: -107.051 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -112.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1247.440618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.440618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.440618 (E_RNA) where: Base-Base interactions energy: -785.087 where: short stacking energy: -359.368 Base-Backbone interact. energy: -0.351 local terms energy: -462.002521 where: bonds (distance) C4'-P energy: -108.411 bonds (distance) P-C4' energy: -101.082 flat angles C4'-P-C4' energy: -106.902 flat angles P-C4'-P energy: -57.576 tors. eta vs tors. theta energy: -88.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -925.955695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.955695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.955695 (E_RNA) where: Base-Base interactions energy: -531.974 where: short stacking energy: -248.699 Base-Backbone interact. energy: 1.357 local terms energy: -395.338524 where: bonds (distance) C4'-P energy: -96.193 bonds (distance) P-C4' energy: -113.639 flat angles C4'-P-C4' energy: -96.728 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: -29.363 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: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -893.042828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.042828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.042828 (E_RNA) where: Base-Base interactions energy: -527.931 where: short stacking energy: -250.286 Base-Backbone interact. energy: 0.518 local terms energy: -365.630491 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -98.304 flat angles C4'-P-C4' energy: -101.967 flat angles P-C4'-P energy: -55.981 tors. eta vs tors. theta energy: -30.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -494.582961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.582961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.582961 (E_RNA) where: Base-Base interactions energy: -150.493 where: short stacking energy: -139.661 Base-Backbone interact. energy: -3.458 local terms energy: -340.631484 where: bonds (distance) C4'-P energy: -98.421 bonds (distance) P-C4' energy: -111.114 flat angles C4'-P-C4' energy: -96.979 flat angles P-C4'-P energy: -53.296 tors. eta vs tors. theta energy: 19.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2131.649495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.649495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.649495 (E_RNA) where: Base-Base interactions energy: -1469.228 where: short stacking energy: -613.845 Base-Backbone interact. energy: -3.468 local terms energy: -658.953304 where: bonds (distance) C4'-P energy: -121.612 bonds (distance) P-C4' energy: -119.050 flat angles C4'-P-C4' energy: -139.847 flat angles P-C4'-P energy: -87.245 tors. eta vs tors. theta energy: -191.199 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: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2037.287041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.287041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.287041 (E_RNA) where: Base-Base interactions energy: -1395.312 where: short stacking energy: -598.395 Base-Backbone interact. energy: -3.208 local terms energy: -638.767584 where: bonds (distance) C4'-P energy: -104.802 bonds (distance) P-C4' energy: -122.310 flat angles C4'-P-C4' energy: -135.809 flat angles P-C4'-P energy: -90.565 tors. eta vs tors. theta energy: -185.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1981.001514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.001514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.001514 (E_RNA) where: Base-Base interactions energy: -1399.150 where: short stacking energy: -601.140 Base-Backbone interact. energy: -2.297 local terms energy: -579.554507 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -110.813 flat angles C4'-P-C4' energy: -124.183 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -170.000 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: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1824.408694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.408694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.408694 (E_RNA) where: Base-Base interactions energy: -1279.275 where: short stacking energy: -524.495 Base-Backbone interact. energy: 5.131 local terms energy: -550.264347 where: bonds (distance) C4'-P energy: -94.398 bonds (distance) P-C4' energy: -103.787 flat angles C4'-P-C4' energy: -129.784 flat angles P-C4'-P energy: -75.177 tors. eta vs tors. theta energy: -147.118 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: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1658.335906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.335906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.335906 (E_RNA) where: Base-Base interactions energy: -1116.059 where: short stacking energy: -488.585 Base-Backbone interact. energy: -3.169 local terms energy: -539.108676 where: bonds (distance) C4'-P energy: -92.778 bonds (distance) P-C4' energy: -102.994 flat angles C4'-P-C4' energy: -126.454 flat angles P-C4'-P energy: -80.389 tors. eta vs tors. theta energy: -136.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1461.070480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.070480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.070480 (E_RNA) where: Base-Base interactions energy: -942.002 where: short stacking energy: -434.724 Base-Backbone interact. energy: -0.334 local terms energy: -518.734337 where: bonds (distance) C4'-P energy: -90.265 bonds (distance) P-C4' energy: -107.265 flat angles C4'-P-C4' energy: -111.390 flat angles P-C4'-P energy: -79.269 tors. eta vs tors. theta energy: -130.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1265.722899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.722899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.722899 (E_RNA) where: Base-Base interactions energy: -805.190 where: short stacking energy: -363.871 Base-Backbone interact. energy: -2.063 local terms energy: -458.469703 where: bonds (distance) C4'-P energy: -88.303 bonds (distance) P-C4' energy: -118.729 flat angles C4'-P-C4' energy: -103.314 flat angles P-C4'-P energy: -66.666 tors. eta vs tors. theta energy: -81.457 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: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -932.773298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.773298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.773298 (E_RNA) where: Base-Base interactions energy: -571.100 where: short stacking energy: -264.628 Base-Backbone interact. energy: 6.934 local terms energy: -368.607236 where: bonds (distance) C4'-P energy: -88.063 bonds (distance) P-C4' energy: -85.220 flat angles C4'-P-C4' energy: -100.759 flat angles P-C4'-P energy: -65.662 tors. eta vs tors. theta energy: -28.903 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: 269 Temperature: 1.300000 Total energy: -845.369459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.369459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.369459 (E_RNA) where: Base-Base interactions energy: -477.965 where: short stacking energy: -228.516 Base-Backbone interact. energy: 2.914 local terms energy: -370.317802 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -93.788 flat angles C4'-P-C4' energy: -88.248 flat angles P-C4'-P energy: -56.165 tors. eta vs tors. theta energy: -31.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -460.874974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.874974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.874974 (E_RNA) where: Base-Base interactions energy: -193.929 where: short stacking energy: -129.067 Base-Backbone interact. energy: 1.131 local terms energy: -268.076514 where: bonds (distance) C4'-P energy: -90.899 bonds (distance) P-C4' energy: -98.436 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: 42.448 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: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2093.363940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.363940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.363940 (E_RNA) where: Base-Base interactions energy: -1442.284 where: short stacking energy: -613.494 Base-Backbone interact. energy: -1.821 local terms energy: -649.259206 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -122.182 flat angles C4'-P-C4' energy: -134.489 flat angles P-C4'-P energy: -89.570 tors. eta vs tors. theta energy: -180.085 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: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2041.397948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.397948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.397948 (E_RNA) where: Base-Base interactions energy: -1412.519 where: short stacking energy: -601.907 Base-Backbone interact. energy: -4.202 local terms energy: -624.676450 where: bonds (distance) C4'-P energy: -117.567 bonds (distance) P-C4' energy: -108.935 flat angles C4'-P-C4' energy: -131.205 flat angles P-C4'-P energy: -88.266 tors. eta vs tors. theta energy: -178.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2017.886739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.886739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.886739 (E_RNA) where: Base-Base interactions energy: -1403.950 where: short stacking energy: -593.268 Base-Backbone interact. energy: -2.615 local terms energy: -611.320907 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -116.784 flat angles C4'-P-C4' energy: -128.328 flat angles P-C4'-P energy: -79.130 tors. eta vs tors. theta energy: -181.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1801.215064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.215064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.215064 (E_RNA) where: Base-Base interactions energy: -1235.541 where: short stacking energy: -520.228 Base-Backbone interact. energy: 6.331 local terms energy: -572.004761 where: bonds (distance) C4'-P energy: -99.176 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -134.530 flat angles P-C4'-P energy: -84.067 tors. eta vs tors. theta energy: -145.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1647.956515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.956515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.956515 (E_RNA) where: Base-Base interactions energy: -1132.894 where: short stacking energy: -476.969 Base-Backbone interact. energy: 1.359 local terms energy: -516.421491 where: bonds (distance) C4'-P energy: -104.625 bonds (distance) P-C4' energy: -106.167 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -76.329 tors. eta vs tors. theta energy: -119.707 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: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1533.247315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.247315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.247315 (E_RNA) where: Base-Base interactions energy: -992.208 where: short stacking energy: -452.386 Base-Backbone interact. energy: -2.956 local terms energy: -538.083483 where: bonds (distance) C4'-P energy: -85.860 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -114.939 flat angles P-C4'-P energy: -85.194 tors. eta vs tors. theta energy: -133.105 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: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1320.369589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.369589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.369589 (E_RNA) where: Base-Base interactions energy: -861.869 where: short stacking energy: -383.319 Base-Backbone interact. energy: -2.341 local terms energy: -456.160287 where: bonds (distance) C4'-P energy: -95.874 bonds (distance) P-C4' energy: -106.903 flat angles C4'-P-C4' energy: -105.793 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -80.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -940.137297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.137297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.137297 (E_RNA) where: Base-Base interactions energy: -566.149 where: short stacking energy: -245.613 Base-Backbone interact. energy: 3.631 local terms energy: -377.619894 where: bonds (distance) C4'-P energy: -95.608 bonds (distance) P-C4' energy: -110.718 flat angles C4'-P-C4' energy: -82.723 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -33.107 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: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -845.219192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.219192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.219192 (E_RNA) where: Base-Base interactions energy: -466.206 where: short stacking energy: -249.631 Base-Backbone interact. energy: -2.997 local terms energy: -376.015928 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -103.897 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -48.366 tors. eta vs tors. theta energy: -15.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -466.574223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.574223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.574223 (E_RNA) where: Base-Base interactions energy: -173.266 where: short stacking energy: -129.301 Base-Backbone interact. energy: -3.752 local terms energy: -289.555598 where: bonds (distance) C4'-P energy: -80.193 bonds (distance) P-C4' energy: -92.540 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -57.165 tors. eta vs tors. theta energy: 9.831 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: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2115.870701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.870701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.870701 (E_RNA) where: Base-Base interactions energy: -1468.808 where: short stacking energy: -605.169 Base-Backbone interact. energy: -3.563 local terms energy: -643.499055 where: bonds (distance) C4'-P energy: -118.639 bonds (distance) P-C4' energy: -121.629 flat angles C4'-P-C4' energy: -126.834 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -182.814 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: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2039.336533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.336533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.336533 (E_RNA) where: Base-Base interactions energy: -1417.863 where: short stacking energy: -580.276 Base-Backbone interact. energy: -0.224 local terms energy: -621.249174 where: bonds (distance) C4'-P energy: -113.484 bonds (distance) P-C4' energy: -115.835 flat angles C4'-P-C4' energy: -132.963 flat angles P-C4'-P energy: -76.036 tors. eta vs tors. theta energy: -182.932 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: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1985.492431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.492431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.492431 (E_RNA) where: Base-Base interactions energy: -1361.767 where: short stacking energy: -572.905 Base-Backbone interact. energy: -5.031 local terms energy: -618.694126 where: bonds (distance) C4'-P energy: -109.069 bonds (distance) P-C4' energy: -120.716 flat angles C4'-P-C4' energy: -124.429 flat angles P-C4'-P energy: -83.695 tors. eta vs tors. theta energy: -180.785 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: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1836.261483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.261483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.261483 (E_RNA) where: Base-Base interactions energy: -1259.440 where: short stacking energy: -538.013 Base-Backbone interact. energy: -2.464 local terms energy: -574.358139 where: bonds (distance) C4'-P energy: -102.264 bonds (distance) P-C4' energy: -117.332 flat angles C4'-P-C4' energy: -121.901 flat angles P-C4'-P energy: -73.242 tors. eta vs tors. theta energy: -159.619 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: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1692.804017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.804017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.804017 (E_RNA) where: Base-Base interactions energy: -1166.091 where: short stacking energy: -478.886 Base-Backbone interact. energy: -4.258 local terms energy: -522.455143 where: bonds (distance) C4'-P energy: -83.916 bonds (distance) P-C4' energy: -113.271 flat angles C4'-P-C4' energy: -116.612 flat angles P-C4'-P energy: -72.675 tors. eta vs tors. theta energy: -135.981 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: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1475.709579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.709579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.709579 (E_RNA) where: Base-Base interactions energy: -983.689 where: short stacking energy: -466.422 Base-Backbone interact. energy: -0.068 local terms energy: -491.952608 where: bonds (distance) C4'-P energy: -88.657 bonds (distance) P-C4' energy: -90.989 flat angles C4'-P-C4' energy: -106.450 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -134.871 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: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1220.492034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.492034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.492034 (E_RNA) where: Base-Base interactions energy: -804.685 where: short stacking energy: -367.019 Base-Backbone interact. energy: 2.598 local terms energy: -418.404996 where: bonds (distance) C4'-P energy: -89.333 bonds (distance) P-C4' energy: -106.792 flat angles C4'-P-C4' energy: -103.830 flat angles P-C4'-P energy: -57.515 tors. eta vs tors. theta energy: -60.935 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: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1034.021558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.021558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.021558 (E_RNA) where: Base-Base interactions energy: -652.132 where: short stacking energy: -302.562 Base-Backbone interact. energy: 6.254 local terms energy: -388.144055 where: bonds (distance) C4'-P energy: -86.200 bonds (distance) P-C4' energy: -104.566 flat angles C4'-P-C4' energy: -95.562 flat angles P-C4'-P energy: -60.564 tors. eta vs tors. theta energy: -41.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -831.929867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.929867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.929867 (E_RNA) where: Base-Base interactions energy: -483.593 where: short stacking energy: -216.257 Base-Backbone interact. energy: -4.192 local terms energy: -344.144811 where: bonds (distance) C4'-P energy: -90.612 bonds (distance) P-C4' energy: -93.361 flat angles C4'-P-C4' energy: -88.282 flat angles P-C4'-P energy: -67.015 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: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -474.735977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.735977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.735977 (E_RNA) where: Base-Base interactions energy: -190.919 where: short stacking energy: -140.173 Base-Backbone interact. energy: -2.111 local terms energy: -281.706210 where: bonds (distance) C4'-P energy: -77.600 bonds (distance) P-C4' energy: -103.379 flat angles C4'-P-C4' energy: -79.974 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: 16.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2091.476989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.476989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.476989 (E_RNA) where: Base-Base interactions energy: -1447.342 where: short stacking energy: -606.460 Base-Backbone interact. energy: -2.768 local terms energy: -641.366600 where: bonds (distance) C4'-P energy: -111.150 bonds (distance) P-C4' energy: -118.060 flat angles C4'-P-C4' energy: -126.739 flat angles P-C4'-P energy: -93.136 tors. eta vs tors. theta energy: -192.281 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: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2036.026795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.026795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.026795 (E_RNA) where: Base-Base interactions energy: -1400.647 where: short stacking energy: -571.459 Base-Backbone interact. energy: -4.903 local terms energy: -630.477078 where: bonds (distance) C4'-P energy: -116.223 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -138.826 flat angles P-C4'-P energy: -85.795 tors. eta vs tors. theta energy: -169.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1981.033909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.033909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.033909 (E_RNA) where: Base-Base interactions energy: -1351.825 where: short stacking energy: -586.025 Base-Backbone interact. energy: 1.131 local terms energy: -630.339459 where: bonds (distance) C4'-P energy: -126.052 bonds (distance) P-C4' energy: -104.988 flat angles C4'-P-C4' energy: -130.603 flat angles P-C4'-P energy: -92.114 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: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1787.955121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.955121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.955121 (E_RNA) where: Base-Base interactions energy: -1242.220 where: short stacking energy: -532.024 Base-Backbone interact. energy: -1.921 local terms energy: -543.813947 where: bonds (distance) C4'-P energy: -99.330 bonds (distance) P-C4' energy: -98.805 flat angles C4'-P-C4' energy: -118.827 flat angles P-C4'-P energy: -72.792 tors. eta vs tors. theta energy: -154.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1700.138090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.138090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.138090 (E_RNA) where: Base-Base interactions energy: -1173.875 where: short stacking energy: -496.415 Base-Backbone interact. energy: -2.093 local terms energy: -524.170775 where: bonds (distance) C4'-P energy: -103.170 bonds (distance) P-C4' energy: -109.567 flat angles C4'-P-C4' energy: -132.789 flat angles P-C4'-P energy: -53.681 tors. eta vs tors. theta energy: -124.964 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: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1449.246843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.246843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.246843 (E_RNA) where: Base-Base interactions energy: -948.377 where: short stacking energy: -453.794 Base-Backbone interact. energy: 0.809 local terms energy: -501.678021 where: bonds (distance) C4'-P energy: -90.527 bonds (distance) P-C4' energy: -101.598 flat angles C4'-P-C4' energy: -112.418 flat angles P-C4'-P energy: -79.308 tors. eta vs tors. theta energy: -117.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1214.304940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.304940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.304940 (E_RNA) where: Base-Base interactions energy: -760.146 where: short stacking energy: -343.229 Base-Backbone interact. energy: 1.723 local terms energy: -455.882287 where: bonds (distance) C4'-P energy: -95.895 bonds (distance) P-C4' energy: -108.808 flat angles C4'-P-C4' energy: -110.389 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -63.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -944.638923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.638923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.638923 (E_RNA) where: Base-Base interactions energy: -583.509 where: short stacking energy: -270.921 Base-Backbone interact. energy: 4.253 local terms energy: -365.383092 where: bonds (distance) C4'-P energy: -98.819 bonds (distance) P-C4' energy: -105.706 flat angles C4'-P-C4' energy: -70.635 flat angles P-C4'-P energy: -55.066 tors. eta vs tors. theta energy: -35.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -833.763604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.763604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.763604 (E_RNA) where: Base-Base interactions energy: -449.180 where: short stacking energy: -234.480 Base-Backbone interact. energy: -4.631 local terms energy: -379.953208 where: bonds (distance) C4'-P energy: -113.473 bonds (distance) P-C4' energy: -99.190 flat angles C4'-P-C4' energy: -97.396 flat angles P-C4'-P energy: -42.347 tors. eta vs tors. theta energy: -27.547 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: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -502.797902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.797902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.797902 (E_RNA) where: Base-Base interactions energy: -193.454 where: short stacking energy: -156.409 Base-Backbone interact. energy: -0.834 local terms energy: -308.509708 where: bonds (distance) C4'-P energy: -84.355 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -90.373 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: 25.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2122.701260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.701260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.701260 (E_RNA) where: Base-Base interactions energy: -1470.768 where: short stacking energy: -614.164 Base-Backbone interact. energy: -2.075 local terms energy: -649.858261 where: bonds (distance) C4'-P energy: -122.849 bonds (distance) P-C4' energy: -123.728 flat angles C4'-P-C4' energy: -134.532 flat angles P-C4'-P energy: -87.687 tors. eta vs tors. theta energy: -181.063 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: 273 Temperature: 0.950000 Total energy: -2041.024890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.024890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.024890 (E_RNA) where: Base-Base interactions energy: -1385.481 where: short stacking energy: -601.346 Base-Backbone interact. energy: -3.149 local terms energy: -652.395128 where: bonds (distance) C4'-P energy: -122.362 bonds (distance) P-C4' energy: -117.603 flat angles C4'-P-C4' energy: -137.937 flat angles P-C4'-P energy: -89.322 tors. eta vs tors. theta energy: -185.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1944.175342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.175342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.175342 (E_RNA) where: Base-Base interactions energy: -1333.608 where: short stacking energy: -543.575 Base-Backbone interact. energy: -1.450 local terms energy: -609.117190 where: bonds (distance) C4'-P energy: -109.426 bonds (distance) P-C4' energy: -134.309 flat angles C4'-P-C4' energy: -129.190 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: -158.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1780.023697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.023697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.023697 (E_RNA) where: Base-Base interactions energy: -1227.063 where: short stacking energy: -498.361 Base-Backbone interact. energy: -0.129 local terms energy: -552.831146 where: bonds (distance) C4'-P energy: -109.626 bonds (distance) P-C4' energy: -103.841 flat angles C4'-P-C4' energy: -134.988 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -127.098 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: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1701.358514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.358514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.358514 (E_RNA) where: Base-Base interactions energy: -1174.790 where: short stacking energy: -516.036 Base-Backbone interact. energy: 3.981 local terms energy: -530.549221 where: bonds (distance) C4'-P energy: -103.741 bonds (distance) P-C4' energy: -94.149 flat angles C4'-P-C4' energy: -119.928 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -136.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1472.300832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.300832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.300832 (E_RNA) where: Base-Base interactions energy: -979.326 where: short stacking energy: -430.492 Base-Backbone interact. energy: -2.156 local terms energy: -490.818736 where: bonds (distance) C4'-P energy: -99.059 bonds (distance) P-C4' energy: -92.032 flat angles C4'-P-C4' energy: -120.740 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -108.542 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: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1286.047615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.047615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.047615 (E_RNA) where: Base-Base interactions energy: -815.601 where: short stacking energy: -348.315 Base-Backbone interact. energy: -0.089 local terms energy: -470.357416 where: bonds (distance) C4'-P energy: -102.709 bonds (distance) P-C4' energy: -102.965 flat angles C4'-P-C4' energy: -105.986 flat angles P-C4'-P energy: -79.893 tors. eta vs tors. theta energy: -78.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -958.044361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.044361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.044361 (E_RNA) where: Base-Base interactions energy: -564.539 where: short stacking energy: -293.448 Base-Backbone interact. energy: 0.281 local terms energy: -393.786947 where: bonds (distance) C4'-P energy: -74.035 bonds (distance) P-C4' energy: -98.545 flat angles C4'-P-C4' energy: -108.328 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -55.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -813.829259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.829259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.829259 (E_RNA) where: Base-Base interactions energy: -450.896 where: short stacking energy: -200.646 Base-Backbone interact. energy: 5.486 local terms energy: -368.419133 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -91.079 flat angles C4'-P-C4' energy: -97.604 flat angles P-C4'-P energy: -63.418 tors. eta vs tors. theta energy: -15.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -480.179998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.179998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.179998 (E_RNA) where: Base-Base interactions energy: -164.205 where: short stacking energy: -128.727 Base-Backbone interact. energy: -1.886 local terms energy: -314.088787 where: bonds (distance) C4'-P energy: -88.823 bonds (distance) P-C4' energy: -111.331 flat angles C4'-P-C4' energy: -82.305 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: 20.206 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: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2100.111168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.111168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.111168 (E_RNA) where: Base-Base interactions energy: -1461.745 where: short stacking energy: -609.413 Base-Backbone interact. energy: -4.585 local terms energy: -633.781143 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -122.399 flat angles C4'-P-C4' energy: -121.422 flat angles P-C4'-P energy: -89.718 tors. eta vs tors. theta energy: -185.798 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: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2027.477715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.477715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.477715 (E_RNA) where: Base-Base interactions energy: -1370.371 where: short stacking energy: -572.312 Base-Backbone interact. energy: -4.153 local terms energy: -652.953745 where: bonds (distance) C4'-P energy: -114.547 bonds (distance) P-C4' energy: -120.486 flat angles C4'-P-C4' energy: -138.999 flat angles P-C4'-P energy: -96.371 tors. eta vs tors. theta energy: -182.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1970.723900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.723900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.723900 (E_RNA) where: Base-Base interactions energy: -1380.825 where: short stacking energy: -539.449 Base-Backbone interact. energy: 5.486 local terms energy: -595.385006 where: bonds (distance) C4'-P energy: -92.231 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -138.129 flat angles P-C4'-P energy: -92.198 tors. eta vs tors. theta energy: -157.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1774.877939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.877939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.877939 (E_RNA) where: Base-Base interactions energy: -1200.353 where: short stacking energy: -519.009 Base-Backbone interact. energy: -1.534 local terms energy: -572.991162 where: bonds (distance) C4'-P energy: -99.775 bonds (distance) P-C4' energy: -111.953 flat angles C4'-P-C4' energy: -131.951 flat angles P-C4'-P energy: -90.849 tors. eta vs tors. theta energy: -138.463 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: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1736.610183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.610183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.610183 (E_RNA) where: Base-Base interactions energy: -1183.406 where: short stacking energy: -498.285 Base-Backbone interact. energy: -4.197 local terms energy: -549.006582 where: bonds (distance) C4'-P energy: -106.277 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -100.110 flat angles P-C4'-P energy: -80.937 tors. eta vs tors. theta energy: -139.184 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: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1527.462677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.462677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.462677 (E_RNA) where: Base-Base interactions energy: -1026.222 where: short stacking energy: -464.969 Base-Backbone interact. energy: -2.139 local terms energy: -499.102568 where: bonds (distance) C4'-P energy: -85.900 bonds (distance) P-C4' energy: -97.344 flat angles C4'-P-C4' energy: -110.236 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -137.583 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: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1256.284007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.284007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.284007 (E_RNA) where: Base-Base interactions energy: -808.720 where: short stacking energy: -374.516 Base-Backbone interact. energy: -0.489 local terms energy: -447.074761 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -101.924 flat angles C4'-P-C4' energy: -116.856 flat angles P-C4'-P energy: -65.854 tors. eta vs tors. theta energy: -77.553 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: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -920.299859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.299859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.299859 (E_RNA) where: Base-Base interactions energy: -553.952 where: short stacking energy: -281.728 Base-Backbone interact. energy: -0.189 local terms energy: -366.157919 where: bonds (distance) C4'-P energy: -89.830 bonds (distance) P-C4' energy: -84.593 flat angles C4'-P-C4' energy: -95.816 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -30.441 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: 274 Temperature: 1.300000 Total energy: -792.670116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.670116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.670116 (E_RNA) where: Base-Base interactions energy: -441.095 where: short stacking energy: -210.239 Base-Backbone interact. energy: 4.332 local terms energy: -355.907852 where: bonds (distance) C4'-P energy: -99.830 bonds (distance) P-C4' energy: -91.318 flat angles C4'-P-C4' energy: -86.355 flat angles P-C4'-P energy: -60.631 tors. eta vs tors. theta energy: -17.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -441.655635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.655635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.655635 (E_RNA) where: Base-Base interactions energy: -167.784 where: short stacking energy: -121.862 Base-Backbone interact. energy: 7.986 local terms energy: -281.857606 where: bonds (distance) C4'-P energy: -95.538 bonds (distance) P-C4' energy: -99.412 flat angles C4'-P-C4' energy: -82.980 flat angles P-C4'-P energy: -52.036 tors. eta vs tors. theta energy: 48.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2095.568243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.568243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.568243 (E_RNA) where: Base-Base interactions energy: -1445.885 where: short stacking energy: -607.834 Base-Backbone interact. energy: -3.073 local terms energy: -646.610444 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -137.798 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -185.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2025.493507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.493507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.493507 (E_RNA) where: Base-Base interactions energy: -1378.702 where: short stacking energy: -591.412 Base-Backbone interact. energy: -3.264 local terms energy: -643.526847 where: bonds (distance) C4'-P energy: -118.427 bonds (distance) P-C4' energy: -118.497 flat angles C4'-P-C4' energy: -134.328 flat angles P-C4'-P energy: -89.708 tors. eta vs tors. theta energy: -182.567 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: 275 Temperature: 1.000000 Total energy: -1989.190333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.190333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.190333 (E_RNA) where: Base-Base interactions energy: -1389.285 where: short stacking energy: -585.240 Base-Backbone interact. energy: -2.573 local terms energy: -597.331805 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -109.732 flat angles C4'-P-C4' energy: -124.599 flat angles P-C4'-P energy: -72.302 tors. eta vs tors. theta energy: -176.254 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: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1793.269427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.269427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.269427 (E_RNA) where: Base-Base interactions energy: -1252.633 where: short stacking energy: -521.328 Base-Backbone interact. energy: -4.570 local terms energy: -536.067003 where: bonds (distance) C4'-P energy: -97.073 bonds (distance) P-C4' energy: -103.993 flat angles C4'-P-C4' energy: -117.278 flat angles P-C4'-P energy: -70.137 tors. eta vs tors. theta energy: -147.586 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: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1736.283299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.283299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.283299 (E_RNA) where: Base-Base interactions energy: -1207.907 where: short stacking energy: -497.686 Base-Backbone interact. energy: -3.160 local terms energy: -525.216617 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -81.916 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -68.889 tors. eta vs tors. theta energy: -150.592 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: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1531.838210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.838210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.838210 (E_RNA) where: Base-Base interactions energy: -1029.681 where: short stacking energy: -481.688 Base-Backbone interact. energy: 0.308 local terms energy: -502.464812 where: bonds (distance) C4'-P energy: -85.200 bonds (distance) P-C4' energy: -82.704 flat angles C4'-P-C4' energy: -115.205 flat angles P-C4'-P energy: -79.016 tors. eta vs tors. theta energy: -140.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1316.356866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.356866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.356866 (E_RNA) where: Base-Base interactions energy: -850.232 where: short stacking energy: -398.690 Base-Backbone interact. energy: -1.559 local terms energy: -464.565865 where: bonds (distance) C4'-P energy: -87.793 bonds (distance) P-C4' energy: -94.136 flat angles C4'-P-C4' energy: -105.032 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -101.328 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: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -958.546922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.546922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.546922 (E_RNA) where: Base-Base interactions energy: -545.193 where: short stacking energy: -267.970 Base-Backbone interact. energy: -1.620 local terms energy: -411.733177 where: bonds (distance) C4'-P energy: -97.490 bonds (distance) P-C4' energy: -94.939 flat angles C4'-P-C4' energy: -113.956 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -39.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -795.597003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.597003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.597003 (E_RNA) where: Base-Base interactions energy: -419.144 where: short stacking energy: -225.045 Base-Backbone interact. energy: 1.818 local terms energy: -378.271576 where: bonds (distance) C4'-P energy: -111.870 bonds (distance) P-C4' energy: -98.119 flat angles C4'-P-C4' energy: -90.860 flat angles P-C4'-P energy: -65.991 tors. eta vs tors. theta energy: -11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -482.391312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.391312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.391312 (E_RNA) where: Base-Base interactions energy: -172.062 where: short stacking energy: -147.006 Base-Backbone interact. energy: 1.890 local terms energy: -312.219231 where: bonds (distance) C4'-P energy: -97.637 bonds (distance) P-C4' energy: -90.451 flat angles C4'-P-C4' energy: -77.406 flat angles P-C4'-P energy: -53.541 tors. eta vs tors. theta energy: 6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2069.411396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.411396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.411396 (E_RNA) where: Base-Base interactions energy: -1445.663 where: short stacking energy: -607.416 Base-Backbone interact. energy: -1.940 local terms energy: -621.808483 where: bonds (distance) C4'-P energy: -114.049 bonds (distance) P-C4' energy: -104.142 flat angles C4'-P-C4' energy: -130.439 flat angles P-C4'-P energy: -89.579 tors. eta vs tors. theta energy: -183.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2039.734770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.734770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.734770 (E_RNA) where: Base-Base interactions energy: -1394.995 where: short stacking energy: -601.762 Base-Backbone interact. energy: 0.690 local terms energy: -645.429633 where: bonds (distance) C4'-P energy: -132.439 bonds (distance) P-C4' energy: -112.662 flat angles C4'-P-C4' energy: -135.100 flat angles P-C4'-P energy: -83.364 tors. eta vs tors. theta energy: -181.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1995.417693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.417693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.417693 (E_RNA) where: Base-Base interactions energy: -1395.475 where: short stacking energy: -607.406 Base-Backbone interact. energy: -1.077 local terms energy: -598.865719 where: bonds (distance) C4'-P energy: -108.542 bonds (distance) P-C4' energy: -111.671 flat angles C4'-P-C4' energy: -122.072 flat angles P-C4'-P energy: -75.956 tors. eta vs tors. theta energy: -180.626 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: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1808.658925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.658925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.658925 (E_RNA) where: Base-Base interactions energy: -1268.840 where: short stacking energy: -522.582 Base-Backbone interact. energy: -1.160 local terms energy: -538.657969 where: bonds (distance) C4'-P energy: -95.715 bonds (distance) P-C4' energy: -110.071 flat angles C4'-P-C4' energy: -121.003 flat angles P-C4'-P energy: -71.908 tors. eta vs tors. theta energy: -139.960 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: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1714.733160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.733160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.733160 (E_RNA) where: Base-Base interactions energy: -1198.391 where: short stacking energy: -492.423 Base-Backbone interact. energy: 3.753 local terms energy: -520.094956 where: bonds (distance) C4'-P energy: -99.657 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -125.752 flat angles P-C4'-P energy: -59.762 tors. eta vs tors. theta energy: -130.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1518.457432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.457432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.457432 (E_RNA) where: Base-Base interactions energy: -968.593 where: short stacking energy: -445.513 Base-Backbone interact. energy: 0.129 local terms energy: -549.993243 where: bonds (distance) C4'-P energy: -122.162 bonds (distance) P-C4' energy: -121.545 flat angles C4'-P-C4' energy: -115.464 flat angles P-C4'-P energy: -70.426 tors. eta vs tors. theta energy: -120.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1286.551001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.551001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.551001 (E_RNA) where: Base-Base interactions energy: -809.414 where: short stacking energy: -374.964 Base-Backbone interact. energy: -2.438 local terms energy: -474.698852 where: bonds (distance) C4'-P energy: -98.415 bonds (distance) P-C4' energy: -117.986 flat angles C4'-P-C4' energy: -103.061 flat angles P-C4'-P energy: -62.602 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: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -953.646272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.646272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.646272 (E_RNA) where: Base-Base interactions energy: -554.046 where: short stacking energy: -251.318 Base-Backbone interact. energy: 3.404 local terms energy: -403.003928 where: bonds (distance) C4'-P energy: -98.312 bonds (distance) P-C4' energy: -101.523 flat angles C4'-P-C4' energy: -93.946 flat angles P-C4'-P energy: -57.649 tors. eta vs tors. theta energy: -51.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -749.681182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.681182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.681182 (E_RNA) where: Base-Base interactions energy: -379.614 where: short stacking energy: -204.842 Base-Backbone interact. energy: -1.243 local terms energy: -368.824225 where: bonds (distance) C4'-P energy: -107.907 bonds (distance) P-C4' energy: -99.142 flat angles C4'-P-C4' energy: -85.748 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -17.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -468.536428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.536428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.536428 (E_RNA) where: Base-Base interactions energy: -182.790 where: short stacking energy: -163.823 Base-Backbone interact. energy: -1.483 local terms energy: -284.262817 where: bonds (distance) C4'-P energy: -107.991 bonds (distance) P-C4' energy: -102.126 flat angles C4'-P-C4' energy: -63.348 flat angles P-C4'-P energy: -20.126 tors. eta vs tors. theta energy: 9.329 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: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2091.817067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.817067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.817067 (E_RNA) where: Base-Base interactions energy: -1437.844 where: short stacking energy: -592.305 Base-Backbone interact. energy: -4.924 local terms energy: -649.049240 where: bonds (distance) C4'-P energy: -122.989 bonds (distance) P-C4' energy: -110.608 flat angles C4'-P-C4' energy: -132.710 flat angles P-C4'-P energy: -103.452 tors. eta vs tors. theta energy: -179.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2031.828514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.828514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.828514 (E_RNA) where: Base-Base interactions energy: -1389.580 where: short stacking energy: -590.759 Base-Backbone interact. energy: -3.374 local terms energy: -638.875324 where: bonds (distance) C4'-P energy: -122.951 bonds (distance) P-C4' energy: -103.385 flat angles C4'-P-C4' energy: -130.773 flat angles P-C4'-P energy: -92.649 tors. eta vs tors. theta energy: -189.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1984.119304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.119304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.119304 (E_RNA) where: Base-Base interactions energy: -1380.092 where: short stacking energy: -568.671 Base-Backbone interact. energy: -1.615 local terms energy: -602.412770 where: bonds (distance) C4'-P energy: -108.814 bonds (distance) P-C4' energy: -112.928 flat angles C4'-P-C4' energy: -128.388 flat angles P-C4'-P energy: -85.715 tors. eta vs tors. theta energy: -166.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1843.718624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.718624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.718624 (E_RNA) where: Base-Base interactions energy: -1279.076 where: short stacking energy: -542.594 Base-Backbone interact. energy: 4.072 local terms energy: -568.714075 where: bonds (distance) C4'-P energy: -116.362 bonds (distance) P-C4' energy: -103.253 flat angles C4'-P-C4' energy: -120.146 flat angles P-C4'-P energy: -85.069 tors. eta vs tors. theta energy: -143.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1729.166614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.166614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.166614 (E_RNA) where: Base-Base interactions energy: -1203.664 where: short stacking energy: -506.764 Base-Backbone interact. energy: -5.286 local terms energy: -520.217185 where: bonds (distance) C4'-P energy: -101.491 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -108.593 flat angles P-C4'-P energy: -73.006 tors. eta vs tors. theta energy: -135.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1530.592578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.592578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.592578 (E_RNA) where: Base-Base interactions energy: -1009.059 where: short stacking energy: -461.567 Base-Backbone interact. energy: -2.277 local terms energy: -519.256547 where: bonds (distance) C4'-P energy: -92.464 bonds (distance) P-C4' energy: -101.757 flat angles C4'-P-C4' energy: -129.236 flat angles P-C4'-P energy: -71.859 tors. eta vs tors. theta energy: -123.941 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: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1326.773346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.773346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.773346 (E_RNA) where: Base-Base interactions energy: -859.326 where: short stacking energy: -401.160 Base-Backbone interact. energy: -0.908 local terms energy: -466.539308 where: bonds (distance) C4'-P energy: -97.349 bonds (distance) P-C4' energy: -103.891 flat angles C4'-P-C4' energy: -111.948 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -92.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -984.014302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.014302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.014302 (E_RNA) where: Base-Base interactions energy: -609.317 where: short stacking energy: -277.635 Base-Backbone interact. energy: -0.515 local terms energy: -374.182141 where: bonds (distance) C4'-P energy: -87.492 bonds (distance) P-C4' energy: -97.435 flat angles C4'-P-C4' energy: -87.327 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -47.373 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: 277 Temperature: 1.300000 Total energy: -768.305466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.305466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.305466 (E_RNA) where: Base-Base interactions energy: -437.618 where: short stacking energy: -230.861 Base-Backbone interact. energy: -0.575 local terms energy: -330.111893 where: bonds (distance) C4'-P energy: -95.972 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -43.047 tors. eta vs tors. theta energy: -23.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -470.093919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.093919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.093919 (E_RNA) where: Base-Base interactions energy: -174.987 where: short stacking energy: -129.927 Base-Backbone interact. energy: 2.380 local terms energy: -297.486586 where: bonds (distance) C4'-P energy: -96.843 bonds (distance) P-C4' energy: -105.497 flat angles C4'-P-C4' energy: -81.792 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: 42.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2090.912354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.912354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.912354 (E_RNA) where: Base-Base interactions energy: -1430.881 where: short stacking energy: -602.008 Base-Backbone interact. energy: -4.371 local terms energy: -655.660978 where: bonds (distance) C4'-P energy: -126.351 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -132.223 flat angles P-C4'-P energy: -87.203 tors. eta vs tors. theta energy: -185.975 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: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2056.748248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.748248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.748248 (E_RNA) where: Base-Base interactions energy: -1407.236 where: short stacking energy: -609.469 Base-Backbone interact. energy: 0.086 local terms energy: -649.598222 where: bonds (distance) C4'-P energy: -119.152 bonds (distance) P-C4' energy: -116.665 flat angles C4'-P-C4' energy: -142.092 flat angles P-C4'-P energy: -84.305 tors. eta vs tors. theta energy: -187.384 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: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2016.486785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.486785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.486785 (E_RNA) where: Base-Base interactions energy: -1393.174 where: short stacking energy: -571.685 Base-Backbone interact. energy: -1.174 local terms energy: -622.138866 where: bonds (distance) C4'-P energy: -121.744 bonds (distance) P-C4' energy: -118.477 flat angles C4'-P-C4' energy: -118.843 flat angles P-C4'-P energy: -93.421 tors. eta vs tors. theta energy: -169.654 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: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1826.310966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.310966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.310966 (E_RNA) where: Base-Base interactions energy: -1267.397 where: short stacking energy: -539.911 Base-Backbone interact. energy: 0.352 local terms energy: -559.266148 where: bonds (distance) C4'-P energy: -100.790 bonds (distance) P-C4' energy: -114.890 flat angles C4'-P-C4' energy: -122.499 flat angles P-C4'-P energy: -77.717 tors. eta vs tors. theta energy: -143.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1746.372985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.372985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.372985 (E_RNA) where: Base-Base interactions energy: -1219.187 where: short stacking energy: -466.480 Base-Backbone interact. energy: 0.043 local terms energy: -527.228440 where: bonds (distance) C4'-P energy: -103.818 bonds (distance) P-C4' energy: -113.533 flat angles C4'-P-C4' energy: -114.469 flat angles P-C4'-P energy: -70.482 tors. eta vs tors. theta energy: -124.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1501.496917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.496917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.496917 (E_RNA) where: Base-Base interactions energy: -969.670 where: short stacking energy: -433.593 Base-Backbone interact. energy: -1.217 local terms energy: -530.609829 where: bonds (distance) C4'-P energy: -110.057 bonds (distance) P-C4' energy: -112.851 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -68.529 tors. eta vs tors. theta energy: -130.842 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: 7, replica: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1298.143160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.143160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.143160 (E_RNA) where: Base-Base interactions energy: -838.429 where: short stacking energy: -393.208 Base-Backbone interact. energy: -4.050 local terms energy: -455.663702 where: bonds (distance) C4'-P energy: -94.692 bonds (distance) P-C4' energy: -88.081 flat angles C4'-P-C4' energy: -104.869 flat angles P-C4'-P energy: -80.857 tors. eta vs tors. theta energy: -87.165 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: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -917.537790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.537790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.537790 (E_RNA) where: Base-Base interactions energy: -559.320 where: short stacking energy: -258.301 Base-Backbone interact. energy: -1.937 local terms energy: -356.279996 where: bonds (distance) C4'-P energy: -80.976 bonds (distance) P-C4' energy: -96.067 flat angles C4'-P-C4' energy: -101.850 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -23.390 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: 278 Temperature: 1.300000 Total energy: -751.568411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.568411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.568411 (E_RNA) where: Base-Base interactions energy: -426.482 where: short stacking energy: -234.262 Base-Backbone interact. energy: 1.838 local terms energy: -326.924875 where: bonds (distance) C4'-P energy: -89.234 bonds (distance) P-C4' energy: -102.583 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -46.755 tors. eta vs tors. theta energy: -16.705 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: 10, replica: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -475.405014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.405014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.405014 (E_RNA) where: Base-Base interactions energy: -186.528 where: short stacking energy: -140.515 Base-Backbone interact. energy: 4.456 local terms energy: -293.333279 where: bonds (distance) C4'-P energy: -72.427 bonds (distance) P-C4' energy: -93.647 flat angles C4'-P-C4' energy: -91.649 flat angles P-C4'-P energy: -57.609 tors. eta vs tors. theta energy: 21.999 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: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2065.711102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.711102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.711102 (E_RNA) where: Base-Base interactions energy: -1415.854 where: short stacking energy: -607.779 Base-Backbone interact. energy: -3.898 local terms energy: -645.959095 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -131.779 flat angles C4'-P-C4' energy: -132.843 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -184.313 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: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2051.382995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.382995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.382995 (E_RNA) where: Base-Base interactions energy: -1424.168 where: short stacking energy: -593.905 Base-Backbone interact. energy: -1.344 local terms energy: -625.870277 where: bonds (distance) C4'-P energy: -108.092 bonds (distance) P-C4' energy: -113.767 flat angles C4'-P-C4' energy: -132.865 flat angles P-C4'-P energy: -95.591 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: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1991.440353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.440353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.440353 (E_RNA) where: Base-Base interactions energy: -1384.614 where: short stacking energy: -585.914 Base-Backbone interact. energy: 1.655 local terms energy: -608.481277 where: bonds (distance) C4'-P energy: -118.950 bonds (distance) P-C4' energy: -109.508 flat angles C4'-P-C4' energy: -134.299 flat angles P-C4'-P energy: -69.392 tors. eta vs tors. theta energy: -176.332 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: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1837.597873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.597873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.597873 (E_RNA) where: Base-Base interactions energy: -1276.213 where: short stacking energy: -527.622 Base-Backbone interact. energy: -1.058 local terms energy: -560.326848 where: bonds (distance) C4'-P energy: -103.206 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -125.717 flat angles P-C4'-P energy: -79.776 tors. eta vs tors. theta energy: -138.987 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: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1747.709424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.709424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.709424 (E_RNA) where: Base-Base interactions energy: -1221.505 where: short stacking energy: -496.554 Base-Backbone interact. energy: -4.045 local terms energy: -522.159281 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -112.246 flat angles C4'-P-C4' energy: -111.930 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -134.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1529.304496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.304496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.304496 (E_RNA) where: Base-Base interactions energy: -997.184 where: short stacking energy: -476.025 Base-Backbone interact. energy: 1.017 local terms energy: -533.138066 where: bonds (distance) C4'-P energy: -101.422 bonds (distance) P-C4' energy: -121.433 flat angles C4'-P-C4' energy: -117.133 flat angles P-C4'-P energy: -64.183 tors. eta vs tors. theta energy: -128.968 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: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1329.153936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.153936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.153936 (E_RNA) where: Base-Base interactions energy: -878.343 where: short stacking energy: -390.602 Base-Backbone interact. energy: -1.776 local terms energy: -449.035316 where: bonds (distance) C4'-P energy: -91.283 bonds (distance) P-C4' energy: -113.046 flat angles C4'-P-C4' energy: -86.700 flat angles P-C4'-P energy: -71.021 tors. eta vs tors. theta energy: -86.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -885.128485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.128485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.128485 (E_RNA) where: Base-Base interactions energy: -518.425 where: short stacking energy: -258.156 Base-Backbone interact. energy: -0.890 local terms energy: -365.813084 where: bonds (distance) C4'-P energy: -111.782 bonds (distance) P-C4' energy: -78.846 flat angles C4'-P-C4' energy: -103.509 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -791.886068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.886068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.886068 (E_RNA) where: Base-Base interactions energy: -436.787 where: short stacking energy: -236.957 Base-Backbone interact. energy: -2.207 local terms energy: -352.892445 where: bonds (distance) C4'-P energy: -70.154 bonds (distance) P-C4' energy: -98.533 flat angles C4'-P-C4' energy: -99.773 flat angles P-C4'-P energy: -58.748 tors. eta vs tors. theta energy: -25.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -475.318568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.318568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.318568 (E_RNA) where: Base-Base interactions energy: -158.339 where: short stacking energy: -155.229 Base-Backbone interact. energy: -1.703 local terms energy: -315.277454 where: bonds (distance) C4'-P energy: -99.960 bonds (distance) P-C4' energy: -103.686 flat angles C4'-P-C4' energy: -90.796 flat angles P-C4'-P energy: -44.441 tors. eta vs tors. theta energy: 23.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2105.385794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.385794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.385794 (E_RNA) where: Base-Base interactions energy: -1459.350 where: short stacking energy: -625.585 Base-Backbone interact. energy: -0.725 local terms energy: -645.310760 where: bonds (distance) C4'-P energy: -108.409 bonds (distance) P-C4' energy: -124.246 flat angles C4'-P-C4' energy: -135.306 flat angles P-C4'-P energy: -92.919 tors. eta vs tors. theta energy: -184.431 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: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2018.818135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.818135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.818135 (E_RNA) where: Base-Base interactions energy: -1392.476 where: short stacking energy: -580.047 Base-Backbone interact. energy: -2.718 local terms energy: -623.624269 where: bonds (distance) C4'-P energy: -110.177 bonds (distance) P-C4' energy: -121.441 flat angles C4'-P-C4' energy: -134.089 flat angles P-C4'-P energy: -89.014 tors. eta vs tors. theta energy: -168.903 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: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2010.781533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.781533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.781533 (E_RNA) where: Base-Base interactions energy: -1401.943 where: short stacking energy: -574.738 Base-Backbone interact. energy: -1.254 local terms energy: -607.584249 where: bonds (distance) C4'-P energy: -95.691 bonds (distance) P-C4' energy: -110.772 flat angles C4'-P-C4' energy: -145.384 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -177.325 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: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1797.129480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.129480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.129480 (E_RNA) where: Base-Base interactions energy: -1232.743 where: short stacking energy: -480.879 Base-Backbone interact. energy: 0.413 local terms energy: -564.799066 where: bonds (distance) C4'-P energy: -111.810 bonds (distance) P-C4' energy: -119.585 flat angles C4'-P-C4' energy: -122.771 flat angles P-C4'-P energy: -75.249 tors. eta vs tors. theta energy: -135.384 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: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1763.505264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.505264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.505264 (E_RNA) where: Base-Base interactions energy: -1209.117 where: short stacking energy: -514.036 Base-Backbone interact. energy: -1.856 local terms energy: -552.532560 where: bonds (distance) C4'-P energy: -100.946 bonds (distance) P-C4' energy: -102.024 flat angles C4'-P-C4' energy: -120.760 flat angles P-C4'-P energy: -75.618 tors. eta vs tors. theta energy: -153.185 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: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1525.217413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.217413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.217413 (E_RNA) where: Base-Base interactions energy: -1019.271 where: short stacking energy: -448.427 Base-Backbone interact. energy: -1.426 local terms energy: -504.519897 where: bonds (distance) C4'-P energy: -97.558 bonds (distance) P-C4' energy: -112.750 flat angles C4'-P-C4' energy: -104.976 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -126.530 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: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1281.277249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.277249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.277249 (E_RNA) where: Base-Base interactions energy: -832.058 where: short stacking energy: -342.854 Base-Backbone interact. energy: 0.668 local terms energy: -449.886815 where: bonds (distance) C4'-P energy: -92.609 bonds (distance) P-C4' energy: -95.983 flat angles C4'-P-C4' energy: -117.574 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: -81.161 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: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -963.581162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.581162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.581162 (E_RNA) where: Base-Base interactions energy: -544.574 where: short stacking energy: -256.292 Base-Backbone interact. energy: 0.574 local terms energy: -419.581588 where: bonds (distance) C4'-P energy: -105.241 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -109.764 flat angles P-C4'-P energy: -59.929 tors. eta vs tors. theta energy: -47.002 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: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -749.947252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.947252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.947252 (E_RNA) where: Base-Base interactions energy: -410.716 where: short stacking energy: -234.508 Base-Backbone interact. energy: -0.662 local terms energy: -338.569461 where: bonds (distance) C4'-P energy: -85.306 bonds (distance) P-C4' energy: -88.636 flat angles C4'-P-C4' energy: -92.753 flat angles P-C4'-P energy: -42.477 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: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -469.291765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.291765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.291765 (E_RNA) where: Base-Base interactions energy: -186.125 where: short stacking energy: -126.328 Base-Backbone interact. energy: -2.256 local terms energy: -280.911176 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -87.951 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -54.395 tors. eta vs tors. theta energy: 25.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2109.526225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.526225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.526225 (E_RNA) where: Base-Base interactions energy: -1466.022 where: short stacking energy: -607.382 Base-Backbone interact. energy: -1.717 local terms energy: -641.787715 where: bonds (distance) C4'-P energy: -116.630 bonds (distance) P-C4' energy: -112.729 flat angles C4'-P-C4' energy: -132.803 flat angles P-C4'-P energy: -94.632 tors. eta vs tors. theta energy: -184.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2028.513862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.513862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.513862 (E_RNA) where: Base-Base interactions energy: -1410.729 where: short stacking energy: -597.204 Base-Backbone interact. energy: -2.571 local terms energy: -615.213391 where: bonds (distance) C4'-P energy: -107.002 bonds (distance) P-C4' energy: -116.066 flat angles C4'-P-C4' energy: -131.889 flat angles P-C4'-P energy: -91.923 tors. eta vs tors. theta energy: -168.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1946.960403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.960403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.960403 (E_RNA) where: Base-Base interactions energy: -1340.409 where: short stacking energy: -570.809 Base-Backbone interact. energy: 0.043 local terms energy: -606.594324 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -118.140 flat angles C4'-P-C4' energy: -134.329 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: -164.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1834.373270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.373270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.373270 (E_RNA) where: Base-Base interactions energy: -1291.222 where: short stacking energy: -532.813 Base-Backbone interact. energy: -3.065 local terms energy: -540.086358 where: bonds (distance) C4'-P energy: -92.699 bonds (distance) P-C4' energy: -95.252 flat angles C4'-P-C4' energy: -120.863 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -150.289 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: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1783.852911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.852911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.852911 (E_RNA) where: Base-Base interactions energy: -1239.838 where: short stacking energy: -504.653 Base-Backbone interact. energy: 1.755 local terms energy: -545.770127 where: bonds (distance) C4'-P energy: -103.283 bonds (distance) P-C4' energy: -109.188 flat angles C4'-P-C4' energy: -108.742 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -155.383 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: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1565.349238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.349238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.349238 (E_RNA) where: Base-Base interactions energy: -1025.503 where: short stacking energy: -445.562 Base-Backbone interact. energy: 1.856 local terms energy: -541.702134 where: bonds (distance) C4'-P energy: -111.282 bonds (distance) P-C4' energy: -112.852 flat angles C4'-P-C4' energy: -124.962 flat angles P-C4'-P energy: -76.072 tors. eta vs tors. theta energy: -116.534 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: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1236.289011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.289011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.289011 (E_RNA) where: Base-Base interactions energy: -782.414 where: short stacking energy: -341.291 Base-Backbone interact. energy: -1.582 local terms energy: -452.293163 where: bonds (distance) C4'-P energy: -95.814 bonds (distance) P-C4' energy: -107.537 flat angles C4'-P-C4' energy: -107.391 flat angles P-C4'-P energy: -71.948 tors. eta vs tors. theta energy: -69.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -899.849956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.849956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.849956 (E_RNA) where: Base-Base interactions energy: -503.993 where: short stacking energy: -242.962 Base-Backbone interact. energy: 2.026 local terms energy: -397.882495 where: bonds (distance) C4'-P energy: -97.107 bonds (distance) P-C4' energy: -111.889 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -62.049 tors. eta vs tors. theta energy: -25.260 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: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -759.411288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.411288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.411288 (E_RNA) where: Base-Base interactions energy: -416.015 where: short stacking energy: -215.356 Base-Backbone interact. energy: 0.412 local terms energy: -343.808491 where: bonds (distance) C4'-P energy: -99.111 bonds (distance) P-C4' energy: -107.502 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -51.924 tors. eta vs tors. theta energy: -1.945 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: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -468.218770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.218770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.218770 (E_RNA) where: Base-Base interactions energy: -169.510 where: short stacking energy: -130.121 Base-Backbone interact. energy: -1.489 local terms energy: -297.220067 where: bonds (distance) C4'-P energy: -94.066 bonds (distance) P-C4' energy: -111.321 flat angles C4'-P-C4' energy: -76.808 flat angles P-C4'-P energy: -43.691 tors. eta vs tors. theta energy: 28.665 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: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2115.445103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.445103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.445103 (E_RNA) where: Base-Base interactions energy: -1467.667 where: short stacking energy: -620.229 Base-Backbone interact. energy: -0.251 local terms energy: -647.526849 where: bonds (distance) C4'-P energy: -128.383 bonds (distance) P-C4' energy: -116.273 flat angles C4'-P-C4' energy: -138.912 flat angles P-C4'-P energy: -84.064 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: 2, replica: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2035.461020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.461020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.461020 (E_RNA) where: Base-Base interactions energy: -1383.244 where: short stacking energy: -583.935 Base-Backbone interact. energy: -4.234 local terms energy: -647.982636 where: bonds (distance) C4'-P energy: -121.389 bonds (distance) P-C4' energy: -124.685 flat angles C4'-P-C4' energy: -128.386 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -181.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1925.599036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.599036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.599036 (E_RNA) where: Base-Base interactions energy: -1314.876 where: short stacking energy: -548.751 Base-Backbone interact. energy: -1.069 local terms energy: -609.653593 where: bonds (distance) C4'-P energy: -121.241 bonds (distance) P-C4' energy: -105.396 flat angles C4'-P-C4' energy: -129.234 flat angles P-C4'-P energy: -81.489 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: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1833.725253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.725253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.725253 (E_RNA) where: Base-Base interactions energy: -1304.083 where: short stacking energy: -508.384 Base-Backbone interact. energy: -3.521 local terms energy: -526.120986 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -99.426 flat angles C4'-P-C4' energy: -107.813 flat angles P-C4'-P energy: -61.553 tors. eta vs tors. theta energy: -146.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1765.510493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.510493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.510493 (E_RNA) where: Base-Base interactions energy: -1215.507 where: short stacking energy: -492.214 Base-Backbone interact. energy: -3.517 local terms energy: -546.486023 where: bonds (distance) C4'-P energy: -101.709 bonds (distance) P-C4' energy: -105.728 flat angles C4'-P-C4' energy: -120.761 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -144.163 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: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1540.810906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.810906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.810906 (E_RNA) where: Base-Base interactions energy: -1022.694 where: short stacking energy: -469.954 Base-Backbone interact. energy: -1.708 local terms energy: -516.409145 where: bonds (distance) C4'-P energy: -101.351 bonds (distance) P-C4' energy: -102.666 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -72.593 tors. eta vs tors. theta energy: -126.872 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: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1280.935395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.935395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.935395 (E_RNA) where: Base-Base interactions energy: -829.124 where: short stacking energy: -380.998 Base-Backbone interact. energy: -1.485 local terms energy: -450.326242 where: bonds (distance) C4'-P energy: -102.015 bonds (distance) P-C4' energy: -92.878 flat angles C4'-P-C4' energy: -93.156 flat angles P-C4'-P energy: -68.418 tors. eta vs tors. theta energy: -93.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -953.619138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.619138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.619138 (E_RNA) where: Base-Base interactions energy: -590.811 where: short stacking energy: -256.209 Base-Backbone interact. energy: 0.756 local terms energy: -363.564775 where: bonds (distance) C4'-P energy: -93.799 bonds (distance) P-C4' energy: -92.705 flat angles C4'-P-C4' energy: -100.667 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -19.775 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: 282 Temperature: 1.300000 Total energy: -757.578722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.578722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.578722 (E_RNA) where: Base-Base interactions energy: -395.667 where: short stacking energy: -223.822 Base-Backbone interact. energy: -1.735 local terms energy: -360.176958 where: bonds (distance) C4'-P energy: -88.432 bonds (distance) P-C4' energy: -92.166 flat angles C4'-P-C4' energy: -74.481 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -35.306 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: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -460.783850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.783850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.783850 (E_RNA) where: Base-Base interactions energy: -185.552 where: short stacking energy: -148.908 Base-Backbone interact. energy: -0.710 local terms energy: -274.522265 where: bonds (distance) C4'-P energy: -78.761 bonds (distance) P-C4' energy: -104.369 flat angles C4'-P-C4' energy: -69.216 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: 16.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2105.705514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.705514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.705514 (E_RNA) where: Base-Base interactions energy: -1456.430 where: short stacking energy: -632.315 Base-Backbone interact. energy: -3.227 local terms energy: -646.048436 where: bonds (distance) C4'-P energy: -111.532 bonds (distance) P-C4' energy: -126.639 flat angles C4'-P-C4' energy: -132.153 flat angles P-C4'-P energy: -89.825 tors. eta vs tors. theta energy: -185.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2013.601189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.601189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.601189 (E_RNA) where: Base-Base interactions energy: -1383.516 where: short stacking energy: -593.829 Base-Backbone interact. energy: -1.538 local terms energy: -628.546966 where: bonds (distance) C4'-P energy: -118.748 bonds (distance) P-C4' energy: -109.361 flat angles C4'-P-C4' energy: -132.626 flat angles P-C4'-P energy: -85.887 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: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1915.354194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.354194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.354194 (E_RNA) where: Base-Base interactions energy: -1314.871 where: short stacking energy: -556.841 Base-Backbone interact. energy: -1.675 local terms energy: -598.808096 where: bonds (distance) C4'-P energy: -118.789 bonds (distance) P-C4' energy: -105.283 flat angles C4'-P-C4' energy: -124.371 flat angles P-C4'-P energy: -78.416 tors. eta vs tors. theta energy: -171.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1820.850775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.850775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.850775 (E_RNA) where: Base-Base interactions energy: -1238.658 where: short stacking energy: -517.479 Base-Backbone interact. energy: -3.033 local terms energy: -579.159980 where: bonds (distance) C4'-P energy: -111.517 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -127.106 flat angles P-C4'-P energy: -72.732 tors. eta vs tors. theta energy: -146.783 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: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1779.599884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.599884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.599884 (E_RNA) where: Base-Base interactions energy: -1220.550 where: short stacking energy: -511.513 Base-Backbone interact. energy: 1.533 local terms energy: -560.582420 where: bonds (distance) C4'-P energy: -98.713 bonds (distance) P-C4' energy: -117.190 flat angles C4'-P-C4' energy: -114.600 flat angles P-C4'-P energy: -86.027 tors. eta vs tors. theta energy: -144.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1515.985228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.985228 (E_RNA) where: Base-Base interactions energy: -1021.279 where: short stacking energy: -447.020 Base-Backbone interact. energy: -3.477 local terms energy: -491.228925 where: bonds (distance) C4'-P energy: -99.827 bonds (distance) P-C4' energy: -86.993 flat angles C4'-P-C4' energy: -104.086 flat angles P-C4'-P energy: -74.055 tors. eta vs tors. theta energy: -126.269 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: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1245.152413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.152413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.152413 (E_RNA) where: Base-Base interactions energy: -806.585 where: short stacking energy: -356.070 Base-Backbone interact. energy: -2.065 local terms energy: -436.503157 where: bonds (distance) C4'-P energy: -85.577 bonds (distance) P-C4' energy: -96.332 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -76.419 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: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -956.916910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.916910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.916910 (E_RNA) where: Base-Base interactions energy: -568.063 where: short stacking energy: -280.930 Base-Backbone interact. energy: -1.096 local terms energy: -387.757706 where: bonds (distance) C4'-P energy: -111.433 bonds (distance) P-C4' energy: -83.650 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: -37.826 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: 283 Temperature: 1.300000 Total energy: -751.945683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.945683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.945683 (E_RNA) where: Base-Base interactions energy: -393.416 where: short stacking energy: -187.818 Base-Backbone interact. energy: 1.407 local terms energy: -359.936674 where: bonds (distance) C4'-P energy: -99.958 bonds (distance) P-C4' energy: -109.170 flat angles C4'-P-C4' energy: -88.607 flat angles P-C4'-P energy: -47.271 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -460.611448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.611448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.611448 (E_RNA) where: Base-Base interactions energy: -170.865 where: short stacking energy: -115.090 Base-Backbone interact. energy: 5.482 local terms energy: -295.228527 where: bonds (distance) C4'-P energy: -95.841 bonds (distance) P-C4' energy: -94.617 flat angles C4'-P-C4' energy: -91.834 flat angles P-C4'-P energy: -47.927 tors. eta vs tors. theta energy: 34.990 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: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2122.984156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.984156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.984156 (E_RNA) where: Base-Base interactions energy: -1485.462 where: short stacking energy: -626.433 Base-Backbone interact. energy: -2.504 local terms energy: -635.017887 where: bonds (distance) C4'-P energy: -118.905 bonds (distance) P-C4' energy: -117.456 flat angles C4'-P-C4' energy: -131.191 flat angles P-C4'-P energy: -82.313 tors. eta vs tors. theta energy: -185.153 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: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2032.497823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.497823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.497823 (E_RNA) where: Base-Base interactions energy: -1405.186 where: short stacking energy: -584.927 Base-Backbone interact. energy: -3.340 local terms energy: -623.972030 where: bonds (distance) C4'-P energy: -113.302 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -127.813 flat angles P-C4'-P energy: -96.461 tors. eta vs tors. theta energy: -174.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1920.363966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.363966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.363966 (E_RNA) where: Base-Base interactions energy: -1326.396 where: short stacking energy: -560.876 Base-Backbone interact. energy: -2.566 local terms energy: -591.402448 where: bonds (distance) C4'-P energy: -108.128 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -130.384 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: -176.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1874.191926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.191926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.191926 (E_RNA) where: Base-Base interactions energy: -1315.235 where: short stacking energy: -534.014 Base-Backbone interact. energy: -1.614 local terms energy: -557.342966 where: bonds (distance) C4'-P energy: -106.848 bonds (distance) P-C4' energy: -104.800 flat angles C4'-P-C4' energy: -130.601 flat angles P-C4'-P energy: -74.406 tors. eta vs tors. theta energy: -140.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1758.084611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.084611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.084611 (E_RNA) where: Base-Base interactions energy: -1226.013 where: short stacking energy: -520.217 Base-Backbone interact. energy: 0.521 local terms energy: -532.592681 where: bonds (distance) C4'-P energy: -98.136 bonds (distance) P-C4' energy: -109.648 flat angles C4'-P-C4' energy: -124.229 flat angles P-C4'-P energy: -65.733 tors. eta vs tors. theta energy: -134.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1585.665299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.665299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.665299 (E_RNA) where: Base-Base interactions energy: -1063.380 where: short stacking energy: -489.720 Base-Backbone interact. energy: -2.125 local terms energy: -520.159551 where: bonds (distance) C4'-P energy: -87.071 bonds (distance) P-C4' energy: -114.639 flat angles C4'-P-C4' energy: -116.372 flat angles P-C4'-P energy: -61.215 tors. eta vs tors. theta energy: -140.863 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: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1249.978770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.978770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.978770 (E_RNA) where: Base-Base interactions energy: -799.915 where: short stacking energy: -356.377 Base-Backbone interact. energy: -3.706 local terms energy: -446.357892 where: bonds (distance) C4'-P energy: -95.622 bonds (distance) P-C4' energy: -94.153 flat angles C4'-P-C4' energy: -110.429 flat angles P-C4'-P energy: -73.691 tors. eta vs tors. theta energy: -72.463 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: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -949.614661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.614661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.614661 (E_RNA) where: Base-Base interactions energy: -554.249 where: short stacking energy: -266.419 Base-Backbone interact. energy: 2.061 local terms energy: -397.427094 where: bonds (distance) C4'-P energy: -96.225 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -94.009 flat angles P-C4'-P energy: -50.089 tors. eta vs tors. theta energy: -45.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -747.514563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.514563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.514563 (E_RNA) where: Base-Base interactions energy: -386.624 where: short stacking energy: -182.363 Base-Backbone interact. energy: -0.894 local terms energy: -359.996822 where: bonds (distance) C4'-P energy: -105.690 bonds (distance) P-C4' energy: -105.075 flat angles C4'-P-C4' energy: -85.312 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -9.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -487.572406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.572406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.572406 (E_RNA) where: Base-Base interactions energy: -198.299 where: short stacking energy: -146.443 Base-Backbone interact. energy: -1.406 local terms energy: -287.867677 where: bonds (distance) C4'-P energy: -89.637 bonds (distance) P-C4' energy: -96.715 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -32.191 tors. eta vs tors. theta energy: 5.226 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: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2095.945337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.945337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.945337 (E_RNA) where: Base-Base interactions energy: -1462.126 where: short stacking energy: -596.647 Base-Backbone interact. energy: -3.006 local terms energy: -630.813345 where: bonds (distance) C4'-P energy: -125.855 bonds (distance) P-C4' energy: -110.013 flat angles C4'-P-C4' energy: -122.414 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -178.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2027.728847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.728847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.728847 (E_RNA) where: Base-Base interactions energy: -1371.714 where: short stacking energy: -583.149 Base-Backbone interact. energy: -3.550 local terms energy: -652.464913 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -119.615 flat angles C4'-P-C4' energy: -132.754 flat angles P-C4'-P energy: -97.903 tors. eta vs tors. theta energy: -179.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1954.657673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.657673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.657673 (E_RNA) where: Base-Base interactions energy: -1356.462 where: short stacking energy: -553.350 Base-Backbone interact. energy: -2.343 local terms energy: -595.852596 where: bonds (distance) C4'-P energy: -107.261 bonds (distance) P-C4' energy: -111.909 flat angles C4'-P-C4' energy: -118.614 flat angles P-C4'-P energy: -92.007 tors. eta vs tors. theta energy: -166.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1894.960245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.960245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.960245 (E_RNA) where: Base-Base interactions energy: -1341.068 where: short stacking energy: -528.899 Base-Backbone interact. energy: -2.616 local terms energy: -551.276209 where: bonds (distance) C4'-P energy: -106.542 bonds (distance) P-C4' energy: -105.211 flat angles C4'-P-C4' energy: -123.122 flat angles P-C4'-P energy: -71.162 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: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1737.597649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.597649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.597649 (E_RNA) where: Base-Base interactions energy: -1187.348 where: short stacking energy: -509.942 Base-Backbone interact. energy: -1.096 local terms energy: -549.154059 where: bonds (distance) C4'-P energy: -108.590 bonds (distance) P-C4' energy: -111.115 flat angles C4'-P-C4' energy: -116.310 flat angles P-C4'-P energy: -72.480 tors. eta vs tors. theta energy: -140.658 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: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1495.924430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.924430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.924430 (E_RNA) where: Base-Base interactions energy: -981.505 where: short stacking energy: -459.163 Base-Backbone interact. energy: -3.035 local terms energy: -511.384381 where: bonds (distance) C4'-P energy: -112.825 bonds (distance) P-C4' energy: -97.445 flat angles C4'-P-C4' energy: -105.799 flat angles P-C4'-P energy: -80.138 tors. eta vs tors. theta energy: -115.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1293.575686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.575686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.575686 (E_RNA) where: Base-Base interactions energy: -817.374 where: short stacking energy: -385.677 Base-Backbone interact. energy: -0.377 local terms energy: -475.824932 where: bonds (distance) C4'-P energy: -85.251 bonds (distance) P-C4' energy: -123.528 flat angles C4'-P-C4' energy: -118.924 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -82.011 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: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -995.914947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.914947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.914947 (E_RNA) where: Base-Base interactions energy: -588.879 where: short stacking energy: -288.150 Base-Backbone interact. energy: -2.095 local terms energy: -404.940670 where: bonds (distance) C4'-P energy: -99.191 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -104.753 flat angles P-C4'-P energy: -65.761 tors. eta vs tors. theta energy: -37.328 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: 285 Temperature: 1.300000 Total energy: -672.535600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.535600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.535600 (E_RNA) where: Base-Base interactions energy: -330.185 where: short stacking energy: -177.759 Base-Backbone interact. energy: 2.224 local terms energy: -344.574601 where: bonds (distance) C4'-P energy: -93.844 bonds (distance) P-C4' energy: -84.188 flat angles C4'-P-C4' energy: -101.930 flat angles P-C4'-P energy: -63.619 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -503.257537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.257537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.257537 (E_RNA) where: Base-Base interactions energy: -193.406 where: short stacking energy: -178.303 Base-Backbone interact. energy: 0.039 local terms energy: -309.891156 where: bonds (distance) C4'-P energy: -77.399 bonds (distance) P-C4' energy: -111.663 flat angles C4'-P-C4' energy: -72.419 flat angles P-C4'-P energy: -51.993 tors. eta vs tors. theta energy: 3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2103.833557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.833557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.833557 (E_RNA) where: Base-Base interactions energy: -1472.312 where: short stacking energy: -629.674 Base-Backbone interact. energy: -1.846 local terms energy: -629.675606 where: bonds (distance) C4'-P energy: -118.965 bonds (distance) P-C4' energy: -113.127 flat angles C4'-P-C4' energy: -125.023 flat angles P-C4'-P energy: -86.683 tors. eta vs tors. theta energy: -185.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2046.736986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.736986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.736986 (E_RNA) where: Base-Base interactions energy: -1435.942 where: short stacking energy: -617.501 Base-Backbone interact. energy: -3.432 local terms energy: -607.362778 where: bonds (distance) C4'-P energy: -106.849 bonds (distance) P-C4' energy: -109.595 flat angles C4'-P-C4' energy: -135.715 flat angles P-C4'-P energy: -71.410 tors. eta vs tors. theta energy: -183.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1917.187114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.187114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.187114 (E_RNA) where: Base-Base interactions energy: -1323.063 where: short stacking energy: -564.771 Base-Backbone interact. energy: -0.494 local terms energy: -593.629764 where: bonds (distance) C4'-P energy: -112.172 bonds (distance) P-C4' energy: -112.795 flat angles C4'-P-C4' energy: -120.256 flat angles P-C4'-P energy: -88.950 tors. eta vs tors. theta energy: -159.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1881.826334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.826334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.826334 (E_RNA) where: Base-Base interactions energy: -1319.846 where: short stacking energy: -537.009 Base-Backbone interact. energy: -1.375 local terms energy: -560.605213 where: bonds (distance) C4'-P energy: -112.100 bonds (distance) P-C4' energy: -108.814 flat angles C4'-P-C4' energy: -112.473 flat angles P-C4'-P energy: -77.399 tors. eta vs tors. theta energy: -149.819 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: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1736.349174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.349174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.349174 (E_RNA) where: Base-Base interactions energy: -1158.035 where: short stacking energy: -488.412 Base-Backbone interact. energy: 0.600 local terms energy: -578.914160 where: bonds (distance) C4'-P energy: -100.574 bonds (distance) P-C4' energy: -126.579 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -87.087 tors. eta vs tors. theta energy: -146.189 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: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1551.325350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.325350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.325350 (E_RNA) where: Base-Base interactions energy: -1027.524 where: short stacking energy: -469.726 Base-Backbone interact. energy: -0.589 local terms energy: -523.212382 where: bonds (distance) C4'-P energy: -101.640 bonds (distance) P-C4' energy: -98.509 flat angles C4'-P-C4' energy: -128.893 flat angles P-C4'-P energy: -68.865 tors. eta vs tors. theta energy: -125.305 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: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1278.732193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.732193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.732193 (E_RNA) where: Base-Base interactions energy: -833.866 where: short stacking energy: -361.897 Base-Backbone interact. energy: -0.527 local terms energy: -444.338528 where: bonds (distance) C4'-P energy: -91.139 bonds (distance) P-C4' energy: -107.431 flat angles C4'-P-C4' energy: -105.362 flat angles P-C4'-P energy: -58.520 tors. eta vs tors. theta energy: -81.886 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: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1047.291240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.291240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.291240 (E_RNA) where: Base-Base interactions energy: -645.334 where: short stacking energy: -288.972 Base-Backbone interact. energy: 4.213 local terms energy: -406.170063 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -105.943 flat angles C4'-P-C4' energy: -106.024 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -54.866 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: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -631.427473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.427473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.427473 (E_RNA) where: Base-Base interactions energy: -298.200 where: short stacking energy: -168.428 Base-Backbone interact. energy: -0.782 local terms energy: -332.446151 where: bonds (distance) C4'-P energy: -102.070 bonds (distance) P-C4' energy: -107.554 flat angles C4'-P-C4' energy: -92.620 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: 13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -487.861568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.861568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.861568 (E_RNA) where: Base-Base interactions energy: -162.881 where: short stacking energy: -123.870 Base-Backbone interact. energy: 1.017 local terms energy: -325.997384 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -102.108 flat angles C4'-P-C4' energy: -85.178 flat angles P-C4'-P energy: -66.866 tors. eta vs tors. theta energy: 33.804 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: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2108.763897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.763897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.763897 (E_RNA) where: Base-Base interactions energy: -1488.622 where: short stacking energy: -609.003 Base-Backbone interact. energy: -2.489 local terms energy: -617.653337 where: bonds (distance) C4'-P energy: -125.355 bonds (distance) P-C4' energy: -117.211 flat angles C4'-P-C4' energy: -108.794 flat angles P-C4'-P energy: -88.920 tors. eta vs tors. theta energy: -177.373 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: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1993.172427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.172427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.172427 (E_RNA) where: Base-Base interactions energy: -1389.988 where: short stacking energy: -578.676 Base-Backbone interact. energy: -2.241 local terms energy: -600.942993 where: bonds (distance) C4'-P energy: -97.122 bonds (distance) P-C4' energy: -118.548 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -80.109 tors. eta vs tors. theta energy: -179.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1930.786437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.786437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.786437 (E_RNA) where: Base-Base interactions energy: -1331.855 where: short stacking energy: -575.086 Base-Backbone interact. energy: -0.777 local terms energy: -598.154277 where: bonds (distance) C4'-P energy: -104.614 bonds (distance) P-C4' energy: -104.776 flat angles C4'-P-C4' energy: -134.787 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -170.710 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: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1866.690110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.690110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.690110 (E_RNA) where: Base-Base interactions energy: -1313.522 where: short stacking energy: -526.479 Base-Backbone interact. energy: 1.914 local terms energy: -555.082399 where: bonds (distance) C4'-P energy: -113.373 bonds (distance) P-C4' energy: -104.020 flat angles C4'-P-C4' energy: -116.444 flat angles P-C4'-P energy: -76.837 tors. eta vs tors. theta energy: -144.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1759.843096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.843096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.843096 (E_RNA) where: Base-Base interactions energy: -1214.630 where: short stacking energy: -513.844 Base-Backbone interact. energy: -3.661 local terms energy: -541.551490 where: bonds (distance) C4'-P energy: -107.693 bonds (distance) P-C4' energy: -96.222 flat angles C4'-P-C4' energy: -116.060 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: -140.641 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: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1549.976792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.976792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.976792 (E_RNA) where: Base-Base interactions energy: -1018.051 where: short stacking energy: -433.340 Base-Backbone interact. energy: -2.679 local terms energy: -529.245910 where: bonds (distance) C4'-P energy: -90.783 bonds (distance) P-C4' energy: -128.820 flat angles C4'-P-C4' energy: -118.483 flat angles P-C4'-P energy: -68.156 tors. eta vs tors. theta energy: -123.004 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: 287 Temperature: 1.200000 Total energy: -1298.310632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.310632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.310632 (E_RNA) where: Base-Base interactions energy: -828.251 where: short stacking energy: -367.221 Base-Backbone interact. energy: -1.276 local terms energy: -468.783507 where: bonds (distance) C4'-P energy: -108.314 bonds (distance) P-C4' energy: -114.809 flat angles C4'-P-C4' energy: -101.147 flat angles P-C4'-P energy: -56.054 tors. eta vs tors. theta energy: -88.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1001.029300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.029300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.029300 (E_RNA) where: Base-Base interactions energy: -603.987 where: short stacking energy: -280.783 Base-Backbone interact. energy: -2.730 local terms energy: -394.311868 where: bonds (distance) C4'-P energy: -96.444 bonds (distance) P-C4' energy: -106.272 flat angles C4'-P-C4' energy: -102.421 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -36.290 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: 287 Temperature: 1.300000 Total energy: -703.796789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.796789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.796789 (E_RNA) where: Base-Base interactions energy: -354.699 where: short stacking energy: -209.262 Base-Backbone interact. energy: -2.258 local terms energy: -346.840250 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -91.136 flat angles C4'-P-C4' energy: -89.639 flat angles P-C4'-P energy: -55.039 tors. eta vs tors. theta energy: -8.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -469.113370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.113370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.113370 (E_RNA) where: Base-Base interactions energy: -151.075 where: short stacking energy: -123.875 Base-Backbone interact. energy: 0.063 local terms energy: -318.101918 where: bonds (distance) C4'-P energy: -95.456 bonds (distance) P-C4' energy: -91.812 flat angles C4'-P-C4' energy: -89.170 flat angles P-C4'-P energy: -46.030 tors. eta vs tors. theta energy: 4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2074.035856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.035856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.035856 (E_RNA) where: Base-Base interactions energy: -1453.110 where: short stacking energy: -608.517 Base-Backbone interact. energy: 2.833 local terms energy: -623.758957 where: bonds (distance) C4'-P energy: -117.891 bonds (distance) P-C4' energy: -114.552 flat angles C4'-P-C4' energy: -136.647 flat angles P-C4'-P energy: -77.958 tors. eta vs tors. theta energy: -176.711 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: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2032.387802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.387802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.387802 (E_RNA) where: Base-Base interactions energy: -1388.437 where: short stacking energy: -612.816 Base-Backbone interact. energy: -1.973 local terms energy: -641.977029 where: bonds (distance) C4'-P energy: -121.678 bonds (distance) P-C4' energy: -112.884 flat angles C4'-P-C4' energy: -141.145 flat angles P-C4'-P energy: -97.071 tors. eta vs tors. theta energy: -169.199 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: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1945.257616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.257616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.257616 (E_RNA) where: Base-Base interactions energy: -1334.562 where: short stacking energy: -533.767 Base-Backbone interact. energy: -4.588 local terms energy: -606.108039 where: bonds (distance) C4'-P energy: -125.047 bonds (distance) P-C4' energy: -113.360 flat angles C4'-P-C4' energy: -124.475 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -167.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1864.323266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.323266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.323266 (E_RNA) where: Base-Base interactions energy: -1334.249 where: short stacking energy: -537.164 Base-Backbone interact. energy: -2.059 local terms energy: -528.015532 where: bonds (distance) C4'-P energy: -104.113 bonds (distance) P-C4' energy: -100.653 flat angles C4'-P-C4' energy: -115.316 flat angles P-C4'-P energy: -67.102 tors. eta vs tors. theta energy: -140.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1773.590186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.590186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.590186 (E_RNA) where: Base-Base interactions energy: -1202.925 where: short stacking energy: -509.856 Base-Backbone interact. energy: 1.030 local terms energy: -571.695310 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -112.938 flat angles C4'-P-C4' energy: -127.891 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -148.068 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: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1528.083449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.083449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.083449 (E_RNA) where: Base-Base interactions energy: -1011.378 where: short stacking energy: -457.696 Base-Backbone interact. energy: 4.536 local terms energy: -521.241509 where: bonds (distance) C4'-P energy: -112.123 bonds (distance) P-C4' energy: -106.660 flat angles C4'-P-C4' energy: -109.942 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -117.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1269.602972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.602972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.602972 (E_RNA) where: Base-Base interactions energy: -775.282 where: short stacking energy: -344.372 Base-Backbone interact. energy: -2.522 local terms energy: -491.799302 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -102.169 flat angles C4'-P-C4' energy: -114.332 flat angles P-C4'-P energy: -80.496 tors. eta vs tors. theta energy: -94.771 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: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1073.977376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.977376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.977376 (E_RNA) where: Base-Base interactions energy: -629.354 where: short stacking energy: -286.335 Base-Backbone interact. energy: 0.779 local terms energy: -445.402233 where: bonds (distance) C4'-P energy: -99.318 bonds (distance) P-C4' energy: -122.074 flat angles C4'-P-C4' energy: -105.453 flat angles P-C4'-P energy: -59.525 tors. eta vs tors. theta energy: -59.033 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: 288 Temperature: 1.300000 Total energy: -723.430627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.430627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.430627 (E_RNA) where: Base-Base interactions energy: -377.640 where: short stacking energy: -209.499 Base-Backbone interact. energy: -2.082 local terms energy: -343.707951 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -103.646 flat angles C4'-P-C4' energy: -84.966 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -461.049250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.049250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.049250 (E_RNA) where: Base-Base interactions energy: -156.449 where: short stacking energy: -129.585 Base-Backbone interact. energy: -2.139 local terms energy: -302.461564 where: bonds (distance) C4'-P energy: -98.516 bonds (distance) P-C4' energy: -107.084 flat angles C4'-P-C4' energy: -83.095 flat angles P-C4'-P energy: -40.693 tors. eta vs tors. theta energy: 26.926 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: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2140.272827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.272827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.272827 (E_RNA) where: Base-Base interactions energy: -1481.212 where: short stacking energy: -612.059 Base-Backbone interact. energy: 1.437 local terms energy: -660.497535 where: bonds (distance) C4'-P energy: -121.301 bonds (distance) P-C4' energy: -114.173 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -178.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2021.902530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.902530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.902530 (E_RNA) where: Base-Base interactions energy: -1400.708 where: short stacking energy: -591.649 Base-Backbone interact. energy: 2.783 local terms energy: -623.977499 where: bonds (distance) C4'-P energy: -104.995 bonds (distance) P-C4' energy: -111.377 flat angles C4'-P-C4' energy: -126.862 flat angles P-C4'-P energy: -102.020 tors. eta vs tors. theta energy: -178.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1945.168450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.168450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.168450 (E_RNA) where: Base-Base interactions energy: -1354.588 where: short stacking energy: -532.884 Base-Backbone interact. energy: -3.939 local terms energy: -586.641121 where: bonds (distance) C4'-P energy: -101.815 bonds (distance) P-C4' energy: -101.289 flat angles C4'-P-C4' energy: -126.764 flat angles P-C4'-P energy: -90.650 tors. eta vs tors. theta energy: -166.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1847.177961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.177961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.177961 (E_RNA) where: Base-Base interactions energy: -1288.970 where: short stacking energy: -528.173 Base-Backbone interact. energy: -2.845 local terms energy: -555.363446 where: bonds (distance) C4'-P energy: -112.696 bonds (distance) P-C4' energy: -118.143 flat angles C4'-P-C4' energy: -116.881 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: -145.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1753.209053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.209053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.209053 (E_RNA) where: Base-Base interactions energy: -1193.856 where: short stacking energy: -494.753 Base-Backbone interact. energy: -0.946 local terms energy: -558.406820 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -115.963 flat angles C4'-P-C4' energy: -124.553 flat angles P-C4'-P energy: -76.865 tors. eta vs tors. theta energy: -132.462 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: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1528.166460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.166460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.166460 (E_RNA) where: Base-Base interactions energy: -1035.990 where: short stacking energy: -466.414 Base-Backbone interact. energy: 0.943 local terms energy: -493.119472 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -104.280 flat angles C4'-P-C4' energy: -100.989 flat angles P-C4'-P energy: -75.936 tors. eta vs tors. theta energy: -103.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1341.382322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.382322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.382322 (E_RNA) where: Base-Base interactions energy: -887.740 where: short stacking energy: -387.227 Base-Backbone interact. energy: -2.722 local terms energy: -450.920957 where: bonds (distance) C4'-P energy: -96.553 bonds (distance) P-C4' energy: -91.260 flat angles C4'-P-C4' energy: -113.517 flat angles P-C4'-P energy: -65.343 tors. eta vs tors. theta energy: -84.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1022.091275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.091275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.091275 (E_RNA) where: Base-Base interactions energy: -657.051 where: short stacking energy: -299.192 Base-Backbone interact. energy: -2.798 local terms energy: -362.242342 where: bonds (distance) C4'-P energy: -85.851 bonds (distance) P-C4' energy: -93.989 flat angles C4'-P-C4' energy: -91.048 flat angles P-C4'-P energy: -45.210 tors. eta vs tors. theta energy: -46.144 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: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -728.471914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.471914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.471914 (E_RNA) where: Base-Base interactions energy: -402.580 where: short stacking energy: -220.803 Base-Backbone interact. energy: 3.984 local terms energy: -329.876013 where: bonds (distance) C4'-P energy: -80.863 bonds (distance) P-C4' energy: -90.357 flat angles C4'-P-C4' energy: -87.919 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -5.109 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: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -452.237669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.237669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.237669 (E_RNA) where: Base-Base interactions energy: -172.539 where: short stacking energy: -135.223 Base-Backbone interact. energy: -1.195 local terms energy: -278.503480 where: bonds (distance) C4'-P energy: -100.090 bonds (distance) P-C4' energy: -102.670 flat angles C4'-P-C4' energy: -68.495 flat angles P-C4'-P energy: -33.664 tors. eta vs tors. theta energy: 26.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2115.641699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.641699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.641699 (E_RNA) where: Base-Base interactions energy: -1453.611 where: short stacking energy: -588.932 Base-Backbone interact. energy: -1.280 local terms energy: -660.750705 where: bonds (distance) C4'-P energy: -114.576 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -133.105 flat angles P-C4'-P energy: -105.086 tors. eta vs tors. theta energy: -174.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2005.806052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.806052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.806052 (E_RNA) where: Base-Base interactions energy: -1368.771 where: short stacking energy: -582.746 Base-Backbone interact. energy: -4.015 local terms energy: -633.020469 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -127.485 flat angles C4'-P-C4' energy: -136.139 flat angles P-C4'-P energy: -79.859 tors. eta vs tors. theta energy: -169.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1954.343191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.343191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.343191 (E_RNA) where: Base-Base interactions energy: -1363.773 where: short stacking energy: -557.888 Base-Backbone interact. energy: -2.579 local terms energy: -587.990636 where: bonds (distance) C4'-P energy: -105.713 bonds (distance) P-C4' energy: -116.597 flat angles C4'-P-C4' energy: -121.023 flat angles P-C4'-P energy: -82.459 tors. eta vs tors. theta energy: -162.198 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: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1834.375261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.375261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.375261 (E_RNA) where: Base-Base interactions energy: -1298.398 where: short stacking energy: -541.329 Base-Backbone interact. energy: -3.903 local terms energy: -532.074170 where: bonds (distance) C4'-P energy: -87.578 bonds (distance) P-C4' energy: -114.628 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -145.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1723.576770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.576770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.576770 (E_RNA) where: Base-Base interactions energy: -1193.496 where: short stacking energy: -493.859 Base-Backbone interact. energy: -3.728 local terms energy: -526.353046 where: bonds (distance) C4'-P energy: -93.300 bonds (distance) P-C4' energy: -112.608 flat angles C4'-P-C4' energy: -111.081 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -135.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1559.503296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.503296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.503296 (E_RNA) where: Base-Base interactions energy: -1016.109 where: short stacking energy: -447.892 Base-Backbone interact. energy: -1.634 local terms energy: -541.759976 where: bonds (distance) C4'-P energy: -105.954 bonds (distance) P-C4' energy: -107.536 flat angles C4'-P-C4' energy: -118.596 flat angles P-C4'-P energy: -77.179 tors. eta vs tors. theta energy: -132.495 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: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1297.473212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.473212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.473212 (E_RNA) where: Base-Base interactions energy: -831.425 where: short stacking energy: -367.139 Base-Backbone interact. energy: -0.065 local terms energy: -465.983628 where: bonds (distance) C4'-P energy: -98.916 bonds (distance) P-C4' energy: -103.481 flat angles C4'-P-C4' energy: -106.239 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -86.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1016.382674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.382674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.382674 (E_RNA) where: Base-Base interactions energy: -624.978 where: short stacking energy: -313.738 Base-Backbone interact. energy: -2.420 local terms energy: -388.985020 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -93.640 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -63.476 tors. eta vs tors. theta energy: -62.239 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: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -673.525288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.525288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.525288 (E_RNA) where: Base-Base interactions energy: -324.848 where: short stacking energy: -191.545 Base-Backbone interact. energy: 0.135 local terms energy: -348.812171 where: bonds (distance) C4'-P energy: -96.437 bonds (distance) P-C4' energy: -103.693 flat angles C4'-P-C4' energy: -75.077 flat angles P-C4'-P energy: -59.616 tors. eta vs tors. theta energy: -13.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -452.214937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.214937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.214937 (E_RNA) where: Base-Base interactions energy: -182.178 where: short stacking energy: -100.414 Base-Backbone interact. energy: 3.951 local terms energy: -273.988165 where: bonds (distance) C4'-P energy: -91.039 bonds (distance) P-C4' energy: -104.944 flat angles C4'-P-C4' energy: -79.281 flat angles P-C4'-P energy: -29.405 tors. eta vs tors. theta energy: 30.682 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: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2108.173919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.173919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.173919 (E_RNA) where: Base-Base interactions energy: -1469.836 where: short stacking energy: -622.645 Base-Backbone interact. energy: -1.252 local terms energy: -637.085325 where: bonds (distance) C4'-P energy: -127.555 bonds (distance) P-C4' energy: -115.437 flat angles C4'-P-C4' energy: -133.942 flat angles P-C4'-P energy: -82.992 tors. eta vs tors. theta energy: -177.159 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: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1997.614935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.614935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.614935 (E_RNA) where: Base-Base interactions energy: -1362.350 where: short stacking energy: -581.675 Base-Backbone interact. energy: 2.800 local terms energy: -638.064918 where: bonds (distance) C4'-P energy: -122.058 bonds (distance) P-C4' energy: -121.330 flat angles C4'-P-C4' energy: -123.833 flat angles P-C4'-P energy: -93.802 tors. eta vs tors. theta energy: -177.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1914.465161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.465161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.465161 (E_RNA) where: Base-Base interactions energy: -1312.950 where: short stacking energy: -546.359 Base-Backbone interact. energy: -3.804 local terms energy: -597.710518 where: bonds (distance) C4'-P energy: -116.164 bonds (distance) P-C4' energy: -110.095 flat angles C4'-P-C4' energy: -121.266 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -158.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1833.345557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.345557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.345557 (E_RNA) where: Base-Base interactions energy: -1281.498 where: short stacking energy: -545.678 Base-Backbone interact. energy: -1.616 local terms energy: -550.231046 where: bonds (distance) C4'-P energy: -96.617 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -121.583 flat angles P-C4'-P energy: -72.331 tors. eta vs tors. theta energy: -149.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1725.639496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.639496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.639496 (E_RNA) where: Base-Base interactions energy: -1203.770 where: short stacking energy: -489.110 Base-Backbone interact. energy: 1.440 local terms energy: -523.309504 where: bonds (distance) C4'-P energy: -94.700 bonds (distance) P-C4' energy: -111.421 flat angles C4'-P-C4' energy: -121.739 flat angles P-C4'-P energy: -69.067 tors. eta vs tors. theta energy: -126.383 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: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1527.829284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.829284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.829284 (E_RNA) where: Base-Base interactions energy: -1017.804 where: short stacking energy: -460.200 Base-Backbone interact. energy: -3.096 local terms energy: -506.928695 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -110.192 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -80.745 tors. eta vs tors. theta energy: -110.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1342.103392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.103392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.103392 (E_RNA) where: Base-Base interactions energy: -852.321 where: short stacking energy: -374.060 Base-Backbone interact. energy: 0.416 local terms energy: -490.197676 where: bonds (distance) C4'-P energy: -112.536 bonds (distance) P-C4' energy: -105.535 flat angles C4'-P-C4' energy: -118.205 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -91.575 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: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1049.303709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.303709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.303709 (E_RNA) where: Base-Base interactions energy: -660.624 where: short stacking energy: -309.243 Base-Backbone interact. energy: -1.594 local terms energy: -387.085382 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -102.702 flat angles C4'-P-C4' energy: -89.825 flat angles P-C4'-P energy: -62.493 tors. eta vs tors. theta energy: -36.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -757.620665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.620665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.620665 (E_RNA) where: Base-Base interactions energy: -403.660 where: short stacking energy: -193.614 Base-Backbone interact. energy: 0.477 local terms energy: -354.437572 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -90.489 flat angles C4'-P-C4' energy: -84.606 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: -8.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -477.794575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.794575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.794575 (E_RNA) where: Base-Base interactions energy: -195.017 where: short stacking energy: -124.076 Base-Backbone interact. energy: -0.776 local terms energy: -282.001935 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -92.910 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -52.736 tors. eta vs tors. theta energy: 22.699 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: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2125.965133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.965133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.965133 (E_RNA) where: Base-Base interactions energy: -1475.493 where: short stacking energy: -623.845 Base-Backbone interact. energy: -3.480 local terms energy: -646.992252 where: bonds (distance) C4'-P energy: -112.635 bonds (distance) P-C4' energy: -124.070 flat angles C4'-P-C4' energy: -142.449 flat angles P-C4'-P energy: -83.120 tors. eta vs tors. theta energy: -184.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2011.614829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.614829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.614829 (E_RNA) where: Base-Base interactions energy: -1388.171 where: short stacking energy: -599.389 Base-Backbone interact. energy: -3.614 local terms energy: -619.830099 where: bonds (distance) C4'-P energy: -118.960 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -73.613 tors. eta vs tors. theta energy: -183.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1863.855721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.855721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.855721 (E_RNA) where: Base-Base interactions energy: -1290.420 where: short stacking energy: -565.085 Base-Backbone interact. energy: 2.408 local terms energy: -575.843724 where: bonds (distance) C4'-P energy: -105.728 bonds (distance) P-C4' energy: -111.402 flat angles C4'-P-C4' energy: -122.690 flat angles P-C4'-P energy: -77.970 tors. eta vs tors. theta energy: -158.054 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: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1831.941643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.941643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.941643 (E_RNA) where: Base-Base interactions energy: -1254.103 where: short stacking energy: -515.087 Base-Backbone interact. energy: -2.351 local terms energy: -575.487514 where: bonds (distance) C4'-P energy: -104.863 bonds (distance) P-C4' energy: -121.444 flat angles C4'-P-C4' energy: -123.881 flat angles P-C4'-P energy: -77.978 tors. eta vs tors. theta energy: -147.322 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: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1758.996407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.996407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.996407 (E_RNA) where: Base-Base interactions energy: -1203.356 where: short stacking energy: -510.226 Base-Backbone interact. energy: -1.150 local terms energy: -554.490426 where: bonds (distance) C4'-P energy: -113.025 bonds (distance) P-C4' energy: -100.071 flat angles C4'-P-C4' energy: -125.187 flat angles P-C4'-P energy: -86.291 tors. eta vs tors. theta energy: -129.916 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: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1548.651642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.651642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.651642 (E_RNA) where: Base-Base interactions energy: -990.605 where: short stacking energy: -442.067 Base-Backbone interact. energy: -3.505 local terms energy: -554.542054 where: bonds (distance) C4'-P energy: -113.465 bonds (distance) P-C4' energy: -123.889 flat angles C4'-P-C4' energy: -129.044 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -110.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1283.400373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.400373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.400373 (E_RNA) where: Base-Base interactions energy: -840.484 where: short stacking energy: -371.785 Base-Backbone interact. energy: 2.828 local terms energy: -445.744100 where: bonds (distance) C4'-P energy: -91.149 bonds (distance) P-C4' energy: -93.963 flat angles C4'-P-C4' energy: -117.015 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -93.023 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: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -999.747782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.747782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.747782 (E_RNA) where: Base-Base interactions energy: -627.363 where: short stacking energy: -273.192 Base-Backbone interact. energy: 1.277 local terms energy: -373.661687 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -94.921 flat angles C4'-P-C4' energy: -98.690 flat angles P-C4'-P energy: -35.660 tors. eta vs tors. theta energy: -44.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -757.777995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.777995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.777995 (E_RNA) where: Base-Base interactions energy: -389.357 where: short stacking energy: -221.293 Base-Backbone interact. energy: 0.878 local terms energy: -369.298792 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -103.940 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -72.124 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -553.259480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.259480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.259480 (E_RNA) where: Base-Base interactions energy: -216.610 where: short stacking energy: -147.704 Base-Backbone interact. energy: -1.008 local terms energy: -335.641683 where: bonds (distance) C4'-P energy: -104.721 bonds (distance) P-C4' energy: -92.449 flat angles C4'-P-C4' energy: -93.159 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: 9.903 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: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2150.318605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.318605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.318605 (E_RNA) where: Base-Base interactions energy: -1473.106 where: short stacking energy: -649.435 Base-Backbone interact. energy: -2.277 local terms energy: -674.935252 where: bonds (distance) C4'-P energy: -124.458 bonds (distance) P-C4' energy: -117.921 flat angles C4'-P-C4' energy: -142.464 flat angles P-C4'-P energy: -100.833 tors. eta vs tors. theta energy: -189.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1995.030827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.030827 (E_RNA) where: Base-Base interactions energy: -1387.990 where: short stacking energy: -571.996 Base-Backbone interact. energy: -2.076 local terms energy: -604.964656 where: bonds (distance) C4'-P energy: -110.964 bonds (distance) P-C4' energy: -114.469 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -79.606 tors. eta vs tors. theta energy: -164.100 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: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1846.890203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.890203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.890203 (E_RNA) where: Base-Base interactions energy: -1286.301 where: short stacking energy: -522.445 Base-Backbone interact. energy: -1.254 local terms energy: -559.334817 where: bonds (distance) C4'-P energy: -110.168 bonds (distance) P-C4' energy: -114.140 flat angles C4'-P-C4' energy: -114.508 flat angles P-C4'-P energy: -70.438 tors. eta vs tors. theta energy: -150.080 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: 293 Temperature: 1.050000 Total energy: -1852.313249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.313249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.313249 (E_RNA) where: Base-Base interactions energy: -1326.618 where: short stacking energy: -554.315 Base-Backbone interact. energy: -1.846 local terms energy: -523.849139 where: bonds (distance) C4'-P energy: -91.575 bonds (distance) P-C4' energy: -107.320 flat angles C4'-P-C4' energy: -115.162 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -140.650 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: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1729.794165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.794165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.794165 (E_RNA) where: Base-Base interactions energy: -1179.816 where: short stacking energy: -449.113 Base-Backbone interact. energy: -2.095 local terms energy: -547.882951 where: bonds (distance) C4'-P energy: -111.693 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -123.996 flat angles P-C4'-P energy: -66.350 tors. eta vs tors. theta energy: -122.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1522.970899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.970899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.970899 (E_RNA) where: Base-Base interactions energy: -1031.823 where: short stacking energy: -442.718 Base-Backbone interact. energy: -3.052 local terms energy: -488.096034 where: bonds (distance) C4'-P energy: -100.023 bonds (distance) P-C4' energy: -98.233 flat angles C4'-P-C4' energy: -116.094 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -114.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1273.191816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.191816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.191816 (E_RNA) where: Base-Base interactions energy: -825.421 where: short stacking energy: -369.023 Base-Backbone interact. energy: -1.657 local terms energy: -446.113460 where: bonds (distance) C4'-P energy: -92.712 bonds (distance) P-C4' energy: -97.556 flat angles C4'-P-C4' energy: -106.072 flat angles P-C4'-P energy: -72.038 tors. eta vs tors. theta energy: -77.736 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: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1006.889212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.889212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.889212 (E_RNA) where: Base-Base interactions energy: -607.621 where: short stacking energy: -311.369 Base-Backbone interact. energy: -1.832 local terms energy: -397.436543 where: bonds (distance) C4'-P energy: -104.527 bonds (distance) P-C4' energy: -99.011 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -55.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -751.309643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.309643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.309643 (E_RNA) where: Base-Base interactions energy: -431.572 where: short stacking energy: -211.747 Base-Backbone interact. energy: -2.303 local terms energy: -317.435452 where: bonds (distance) C4'-P energy: -81.348 bonds (distance) P-C4' energy: -99.871 flat angles C4'-P-C4' energy: -83.532 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -1.365 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: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -459.965864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.965864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.965864 (E_RNA) where: Base-Base interactions energy: -201.654 where: short stacking energy: -144.011 Base-Backbone interact. energy: 2.563 local terms energy: -260.874934 where: bonds (distance) C4'-P energy: -88.521 bonds (distance) P-C4' energy: -71.757 flat angles C4'-P-C4' energy: -81.316 flat angles P-C4'-P energy: -35.389 tors. eta vs tors. theta energy: 16.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2112.359051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.359051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.359051 (E_RNA) where: Base-Base interactions energy: -1478.861 where: short stacking energy: -611.707 Base-Backbone interact. energy: -1.906 local terms energy: -631.591762 where: bonds (distance) C4'-P energy: -107.361 bonds (distance) P-C4' energy: -122.148 flat angles C4'-P-C4' energy: -134.689 flat angles P-C4'-P energy: -93.397 tors. eta vs tors. theta energy: -173.997 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: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2004.061433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.061433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.061433 (E_RNA) where: Base-Base interactions energy: -1365.448 where: short stacking energy: -594.819 Base-Backbone interact. energy: -3.573 local terms energy: -635.040621 where: bonds (distance) C4'-P energy: -114.500 bonds (distance) P-C4' energy: -121.850 flat angles C4'-P-C4' energy: -135.273 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -169.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1905.906921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.906921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.906921 (E_RNA) where: Base-Base interactions energy: -1324.803 where: short stacking energy: -557.457 Base-Backbone interact. energy: 0.819 local terms energy: -581.923002 where: bonds (distance) C4'-P energy: -116.647 bonds (distance) P-C4' energy: -100.602 flat angles C4'-P-C4' energy: -128.996 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -151.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1809.233512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.233512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.233512 (E_RNA) where: Base-Base interactions energy: -1252.408 where: short stacking energy: -503.996 Base-Backbone interact. energy: -0.875 local terms energy: -555.950790 where: bonds (distance) C4'-P energy: -105.441 bonds (distance) P-C4' energy: -110.899 flat angles C4'-P-C4' energy: -121.467 flat angles P-C4'-P energy: -79.107 tors. eta vs tors. theta energy: -139.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1731.337934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.337934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.337934 (E_RNA) where: Base-Base interactions energy: -1186.906 where: short stacking energy: -488.010 Base-Backbone interact. energy: 0.979 local terms energy: -545.410406 where: bonds (distance) C4'-P energy: -93.229 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -119.314 flat angles P-C4'-P energy: -84.693 tors. eta vs tors. theta energy: -133.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1527.232037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.232037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.232037 (E_RNA) where: Base-Base interactions energy: -1007.263 where: short stacking energy: -431.372 Base-Backbone interact. energy: -1.926 local terms energy: -518.042701 where: bonds (distance) C4'-P energy: -100.586 bonds (distance) P-C4' energy: -106.240 flat angles C4'-P-C4' energy: -126.556 flat angles P-C4'-P energy: -74.215 tors. eta vs tors. theta energy: -110.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1261.999407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.999407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.999407 (E_RNA) where: Base-Base interactions energy: -806.875 where: short stacking energy: -360.568 Base-Backbone interact. energy: -1.667 local terms energy: -453.457748 where: bonds (distance) C4'-P energy: -103.016 bonds (distance) P-C4' energy: -108.100 flat angles C4'-P-C4' energy: -100.341 flat angles P-C4'-P energy: -73.983 tors. eta vs tors. theta energy: -68.019 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: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1036.673964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.673964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.673964 (E_RNA) where: Base-Base interactions energy: -641.519 where: short stacking energy: -290.567 Base-Backbone interact. energy: 0.032 local terms energy: -395.187184 where: bonds (distance) C4'-P energy: -90.367 bonds (distance) P-C4' energy: -87.681 flat angles C4'-P-C4' energy: -114.177 flat angles P-C4'-P energy: -50.113 tors. eta vs tors. theta energy: -52.849 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: 294 Temperature: 1.300000 Total energy: -698.084312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.084312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.084312 (E_RNA) where: Base-Base interactions energy: -391.540 where: short stacking energy: -201.088 Base-Backbone interact. energy: -2.711 local terms energy: -303.833616 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -87.859 flat angles C4'-P-C4' energy: -89.543 flat angles P-C4'-P energy: -35.586 tors. eta vs tors. theta energy: -2.313 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: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -449.608536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.608536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.608536 (E_RNA) where: Base-Base interactions energy: -133.759 where: short stacking energy: -126.236 Base-Backbone interact. energy: -2.440 local terms energy: -313.409559 where: bonds (distance) C4'-P energy: -88.756 bonds (distance) P-C4' energy: -99.277 flat angles C4'-P-C4' energy: -90.017 flat angles P-C4'-P energy: -56.551 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: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2103.374706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.374706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.374706 (E_RNA) where: Base-Base interactions energy: -1454.686 where: short stacking energy: -637.320 Base-Backbone interact. energy: -0.664 local terms energy: -648.025588 where: bonds (distance) C4'-P energy: -114.142 bonds (distance) P-C4' energy: -102.063 flat angles C4'-P-C4' energy: -143.967 flat angles P-C4'-P energy: -103.344 tors. eta vs tors. theta energy: -184.509 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: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2044.454709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.454709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.454709 (E_RNA) where: Base-Base interactions energy: -1421.925 where: short stacking energy: -603.197 Base-Backbone interact. energy: -2.964 local terms energy: -619.565740 where: bonds (distance) C4'-P energy: -113.435 bonds (distance) P-C4' energy: -124.609 flat angles C4'-P-C4' energy: -127.630 flat angles P-C4'-P energy: -81.309 tors. eta vs tors. theta energy: -172.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1880.080811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.080811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.080811 (E_RNA) where: Base-Base interactions energy: -1311.607 where: short stacking energy: -558.365 Base-Backbone interact. energy: -1.852 local terms energy: -566.621793 where: bonds (distance) C4'-P energy: -96.798 bonds (distance) P-C4' energy: -111.583 flat angles C4'-P-C4' energy: -125.349 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -155.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1748.602830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.602830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.602830 (E_RNA) where: Base-Base interactions energy: -1186.920 where: short stacking energy: -500.805 Base-Backbone interact. energy: -2.149 local terms energy: -559.534104 where: bonds (distance) C4'-P energy: -116.586 bonds (distance) P-C4' energy: -109.683 flat angles C4'-P-C4' energy: -108.849 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -144.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1777.812727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.812727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.812727 (E_RNA) where: Base-Base interactions energy: -1220.110 where: short stacking energy: -508.547 Base-Backbone interact. energy: -2.743 local terms energy: -554.960096 where: bonds (distance) C4'-P energy: -105.599 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -133.175 flat angles P-C4'-P energy: -79.502 tors. eta vs tors. theta energy: -127.144 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: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1451.583714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.583714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.583714 (E_RNA) where: Base-Base interactions energy: -963.020 where: short stacking energy: -440.772 Base-Backbone interact. energy: 0.167 local terms energy: -488.730600 where: bonds (distance) C4'-P energy: -97.438 bonds (distance) P-C4' energy: -113.697 flat angles C4'-P-C4' energy: -102.723 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -104.616 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: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1307.205719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.205719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.205719 (E_RNA) where: Base-Base interactions energy: -840.675 where: short stacking energy: -382.761 Base-Backbone interact. energy: 0.494 local terms energy: -467.025583 where: bonds (distance) C4'-P energy: -94.883 bonds (distance) P-C4' energy: -104.545 flat angles C4'-P-C4' energy: -114.452 flat angles P-C4'-P energy: -76.734 tors. eta vs tors. theta energy: -76.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1040.345816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.345816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.345816 (E_RNA) where: Base-Base interactions energy: -623.545 where: short stacking energy: -297.436 Base-Backbone interact. energy: -0.935 local terms energy: -415.866031 where: bonds (distance) C4'-P energy: -93.445 bonds (distance) P-C4' energy: -112.439 flat angles C4'-P-C4' energy: -109.016 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -43.286 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: 295 Temperature: 1.300000 Total energy: -717.381393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.381393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.381393 (E_RNA) where: Base-Base interactions energy: -386.742 where: short stacking energy: -211.855 Base-Backbone interact. energy: 1.208 local terms energy: -331.846995 where: bonds (distance) C4'-P energy: -95.494 bonds (distance) P-C4' energy: -104.919 flat angles C4'-P-C4' energy: -99.374 flat angles P-C4'-P energy: -18.020 tors. eta vs tors. theta energy: -14.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -444.065497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.065497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.065497 (E_RNA) where: Base-Base interactions energy: -151.265 where: short stacking energy: -113.732 Base-Backbone interact. energy: 1.040 local terms energy: -293.841003 where: bonds (distance) C4'-P energy: -95.488 bonds (distance) P-C4' energy: -104.075 flat angles C4'-P-C4' energy: -63.606 flat angles P-C4'-P energy: -51.542 tors. eta vs tors. theta energy: 20.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2117.403520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.403520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.403520 (E_RNA) where: Base-Base interactions energy: -1472.150 where: short stacking energy: -613.842 Base-Backbone interact. energy: -2.500 local terms energy: -642.753867 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -120.683 flat angles C4'-P-C4' energy: -119.903 flat angles P-C4'-P energy: -101.020 tors. eta vs tors. theta energy: -189.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2052.049267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.049267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.049267 (E_RNA) where: Base-Base interactions energy: -1432.525 where: short stacking energy: -608.329 Base-Backbone interact. energy: 0.417 local terms energy: -619.941327 where: bonds (distance) C4'-P energy: -123.862 bonds (distance) P-C4' energy: -100.902 flat angles C4'-P-C4' energy: -126.331 flat angles P-C4'-P energy: -82.067 tors. eta vs tors. theta energy: -186.780 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: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1904.113958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.113958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.113958 (E_RNA) where: Base-Base interactions energy: -1284.520 where: short stacking energy: -580.340 Base-Backbone interact. energy: -1.136 local terms energy: -618.457521 where: bonds (distance) C4'-P energy: -110.889 bonds (distance) P-C4' energy: -115.649 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -75.060 tors. eta vs tors. theta energy: -175.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1802.431990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.431990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.431990 (E_RNA) where: Base-Base interactions energy: -1223.872 where: short stacking energy: -516.051 Base-Backbone interact. energy: 1.536 local terms energy: -580.095350 where: bonds (distance) C4'-P energy: -100.640 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -131.196 flat angles P-C4'-P energy: -86.054 tors. eta vs tors. theta energy: -150.126 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: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1741.634198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.634198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.634198 (E_RNA) where: Base-Base interactions energy: -1215.894 where: short stacking energy: -494.651 Base-Backbone interact. energy: 0.501 local terms energy: -526.241824 where: bonds (distance) C4'-P energy: -95.033 bonds (distance) P-C4' energy: -106.534 flat angles C4'-P-C4' energy: -114.386 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -140.546 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: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1449.510367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.510367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.510367 (E_RNA) where: Base-Base interactions energy: -956.728 where: short stacking energy: -419.068 Base-Backbone interact. energy: 1.452 local terms energy: -494.234435 where: bonds (distance) C4'-P energy: -96.722 bonds (distance) P-C4' energy: -99.579 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -111.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1335.884463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.884463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.884463 (E_RNA) where: Base-Base interactions energy: -861.538 where: short stacking energy: -383.981 Base-Backbone interact. energy: 0.412 local terms energy: -474.757919 where: bonds (distance) C4'-P energy: -90.987 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -123.743 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -78.555 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: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1045.992836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.992836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.992836 (E_RNA) where: Base-Base interactions energy: -631.153 where: short stacking energy: -271.056 Base-Backbone interact. energy: -2.664 local terms energy: -412.176413 where: bonds (distance) C4'-P energy: -104.483 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -71.337 tors. eta vs tors. theta energy: -44.315 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: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -663.643834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.643834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.643834 (E_RNA) where: Base-Base interactions energy: -346.158 where: short stacking energy: -189.183 Base-Backbone interact. energy: 7.217 local terms energy: -324.702936 where: bonds (distance) C4'-P energy: -91.841 bonds (distance) P-C4' energy: -94.663 flat angles C4'-P-C4' energy: -64.197 flat angles P-C4'-P energy: -65.113 tors. eta vs tors. theta energy: -8.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -469.592144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.592144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.592144 (E_RNA) where: Base-Base interactions energy: -202.511 where: short stacking energy: -173.104 Base-Backbone interact. energy: 0.269 local terms energy: -267.349905 where: bonds (distance) C4'-P energy: -93.336 bonds (distance) P-C4' energy: -83.727 flat angles C4'-P-C4' energy: -67.224 flat angles P-C4'-P energy: -31.337 tors. eta vs tors. theta energy: 8.274 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: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2100.338122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.338122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.338122 (E_RNA) where: Base-Base interactions energy: -1447.000 where: short stacking energy: -587.344 Base-Backbone interact. energy: -2.632 local terms energy: -650.706142 where: bonds (distance) C4'-P energy: -114.563 bonds (distance) P-C4' energy: -126.734 flat angles C4'-P-C4' energy: -133.210 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -178.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2037.384991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.384991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.384991 (E_RNA) where: Base-Base interactions energy: -1419.621 where: short stacking energy: -570.160 Base-Backbone interact. energy: 0.112 local terms energy: -617.876138 where: bonds (distance) C4'-P energy: -108.863 bonds (distance) P-C4' energy: -115.881 flat angles C4'-P-C4' energy: -129.853 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -184.404 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: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1915.208537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.208537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.208537 (E_RNA) where: Base-Base interactions energy: -1305.435 where: short stacking energy: -579.047 Base-Backbone interact. energy: -3.587 local terms energy: -606.186555 where: bonds (distance) C4'-P energy: -105.219 bonds (distance) P-C4' energy: -119.304 flat angles C4'-P-C4' energy: -121.070 flat angles P-C4'-P energy: -79.449 tors. eta vs tors. theta energy: -181.144 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: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1821.631967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.631967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.631967 (E_RNA) where: Base-Base interactions energy: -1241.923 where: short stacking energy: -525.069 Base-Backbone interact. energy: -0.598 local terms energy: -579.110973 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -119.273 flat angles C4'-P-C4' energy: -116.509 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -149.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1742.233321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.233321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.233321 (E_RNA) where: Base-Base interactions energy: -1211.626 where: short stacking energy: -486.282 Base-Backbone interact. energy: 2.499 local terms energy: -533.107169 where: bonds (distance) C4'-P energy: -102.877 bonds (distance) P-C4' energy: -104.161 flat angles C4'-P-C4' energy: -122.698 flat angles P-C4'-P energy: -67.674 tors. eta vs tors. theta energy: -135.697 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: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1503.955036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.955036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.955036 (E_RNA) where: Base-Base interactions energy: -1002.948 where: short stacking energy: -448.682 Base-Backbone interact. energy: -0.407 local terms energy: -500.599321 where: bonds (distance) C4'-P energy: -97.281 bonds (distance) P-C4' energy: -104.197 flat angles C4'-P-C4' energy: -114.851 flat angles P-C4'-P energy: -65.406 tors. eta vs tors. theta energy: -118.864 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: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1311.831394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.831394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.831394 (E_RNA) where: Base-Base interactions energy: -847.189 where: short stacking energy: -385.175 Base-Backbone interact. energy: -1.039 local terms energy: -463.604029 where: bonds (distance) C4'-P energy: -103.065 bonds (distance) P-C4' energy: -103.209 flat angles C4'-P-C4' energy: -105.374 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -89.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1042.042032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.042032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.042032 (E_RNA) where: Base-Base interactions energy: -635.549 where: short stacking energy: -303.995 Base-Backbone interact. energy: -1.512 local terms energy: -404.980348 where: bonds (distance) C4'-P energy: -94.497 bonds (distance) P-C4' energy: -99.606 flat angles C4'-P-C4' energy: -87.634 flat angles P-C4'-P energy: -71.492 tors. eta vs tors. theta energy: -51.752 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: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -784.744324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.744324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.744324 (E_RNA) where: Base-Base interactions energy: -435.492 where: short stacking energy: -195.687 Base-Backbone interact. energy: 1.700 local terms energy: -350.952336 where: bonds (distance) C4'-P energy: -77.433 bonds (distance) P-C4' energy: -100.817 flat angles C4'-P-C4' energy: -107.218 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -9.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -462.455401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.455401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.455401 (E_RNA) where: Base-Base interactions energy: -161.087 where: short stacking energy: -139.833 Base-Backbone interact. energy: 0.086 local terms energy: -301.453844 where: bonds (distance) C4'-P energy: -80.563 bonds (distance) P-C4' energy: -90.242 flat angles C4'-P-C4' energy: -97.445 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: 16.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2114.349396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.349396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.349396 (E_RNA) where: Base-Base interactions energy: -1482.105 where: short stacking energy: -616.383 Base-Backbone interact. energy: -3.653 local terms energy: -628.590667 where: bonds (distance) C4'-P energy: -113.789 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -123.751 flat angles P-C4'-P energy: -93.861 tors. eta vs tors. theta energy: -173.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2038.889985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.889985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.889985 (E_RNA) where: Base-Base interactions energy: -1433.025 where: short stacking energy: -601.924 Base-Backbone interact. energy: -3.526 local terms energy: -602.339267 where: bonds (distance) C4'-P energy: -110.758 bonds (distance) P-C4' energy: -108.706 flat angles C4'-P-C4' energy: -130.147 flat angles P-C4'-P energy: -74.218 tors. eta vs tors. theta energy: -178.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1874.910479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.910479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.910479 (E_RNA) where: Base-Base interactions energy: -1260.164 where: short stacking energy: -562.175 Base-Backbone interact. energy: -2.283 local terms energy: -612.462837 where: bonds (distance) C4'-P energy: -103.635 bonds (distance) P-C4' energy: -109.445 flat angles C4'-P-C4' energy: -129.511 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -178.689 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: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1823.817352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.817352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.817352 (E_RNA) where: Base-Base interactions energy: -1268.358 where: short stacking energy: -538.810 Base-Backbone interact. energy: -2.617 local terms energy: -552.841751 where: bonds (distance) C4'-P energy: -98.739 bonds (distance) P-C4' energy: -105.104 flat angles C4'-P-C4' energy: -120.546 flat angles P-C4'-P energy: -78.552 tors. eta vs tors. theta energy: -149.902 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: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1732.119571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.119571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.119571 (E_RNA) where: Base-Base interactions energy: -1189.223 where: short stacking energy: -482.780 Base-Backbone interact. energy: -4.212 local terms energy: -538.684435 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -101.932 flat angles C4'-P-C4' energy: -122.319 flat angles P-C4'-P energy: -79.597 tors. eta vs tors. theta energy: -124.483 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: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1475.888259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.888259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.888259 (E_RNA) where: Base-Base interactions energy: -985.221 where: short stacking energy: -456.492 Base-Backbone interact. energy: -0.968 local terms energy: -489.699955 where: bonds (distance) C4'-P energy: -99.717 bonds (distance) P-C4' energy: -100.910 flat angles C4'-P-C4' energy: -108.628 flat angles P-C4'-P energy: -57.699 tors. eta vs tors. theta energy: -122.747 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: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1325.304192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.304192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.304192 (E_RNA) where: Base-Base interactions energy: -850.323 where: short stacking energy: -397.349 Base-Backbone interact. energy: 1.022 local terms energy: -476.003270 where: bonds (distance) C4'-P energy: -108.791 bonds (distance) P-C4' energy: -98.650 flat angles C4'-P-C4' energy: -98.422 flat angles P-C4'-P energy: -70.600 tors. eta vs tors. theta energy: -99.540 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: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1033.199125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.199125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.199125 (E_RNA) where: Base-Base interactions energy: -614.188 where: short stacking energy: -282.434 Base-Backbone interact. energy: -1.448 local terms energy: -417.563477 where: bonds (distance) C4'-P energy: -87.576 bonds (distance) P-C4' energy: -114.375 flat angles C4'-P-C4' energy: -96.793 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -53.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -812.478353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.478353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.478353 (E_RNA) where: Base-Base interactions energy: -439.301 where: short stacking energy: -215.879 Base-Backbone interact. energy: -2.108 local terms energy: -371.069445 where: bonds (distance) C4'-P energy: -105.419 bonds (distance) P-C4' energy: -93.918 flat angles C4'-P-C4' energy: -92.028 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: -27.999 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: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -477.130307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.130307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.130307 (E_RNA) where: Base-Base interactions energy: -168.787 where: short stacking energy: -136.432 Base-Backbone interact. energy: 5.145 local terms energy: -313.488312 where: bonds (distance) C4'-P energy: -97.901 bonds (distance) P-C4' energy: -109.798 flat angles C4'-P-C4' energy: -80.657 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: 15.682 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: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2140.870564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.870564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.870564 (E_RNA) where: Base-Base interactions energy: -1476.022 where: short stacking energy: -631.006 Base-Backbone interact. energy: -4.742 local terms energy: -660.106415 where: bonds (distance) C4'-P energy: -121.552 bonds (distance) P-C4' energy: -117.333 flat angles C4'-P-C4' energy: -134.708 flat angles P-C4'-P energy: -91.359 tors. eta vs tors. theta energy: -195.155 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: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2062.496561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.496561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.496561 (E_RNA) where: Base-Base interactions energy: -1444.548 where: short stacking energy: -585.817 Base-Backbone interact. energy: -4.079 local terms energy: -613.870130 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -111.831 flat angles C4'-P-C4' energy: -133.801 flat angles P-C4'-P energy: -82.747 tors. eta vs tors. theta energy: -181.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1889.709026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.709026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.709026 (E_RNA) where: Base-Base interactions energy: -1305.078 where: short stacking energy: -566.798 Base-Backbone interact. energy: -1.422 local terms energy: -583.209121 where: bonds (distance) C4'-P energy: -100.800 bonds (distance) P-C4' energy: -104.679 flat angles C4'-P-C4' energy: -127.494 flat angles P-C4'-P energy: -85.641 tors. eta vs tors. theta energy: -164.595 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: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1788.784702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.784702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.784702 (E_RNA) where: Base-Base interactions energy: -1224.928 where: short stacking energy: -489.541 Base-Backbone interact. energy: -0.728 local terms energy: -563.128694 where: bonds (distance) C4'-P energy: -121.712 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -120.683 flat angles P-C4'-P energy: -78.496 tors. eta vs tors. theta energy: -133.118 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: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1737.947962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.947962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.947962 (E_RNA) where: Base-Base interactions energy: -1210.435 where: short stacking energy: -490.804 Base-Backbone interact. energy: -1.218 local terms energy: -526.294668 where: bonds (distance) C4'-P energy: -97.932 bonds (distance) P-C4' energy: -100.280 flat angles C4'-P-C4' energy: -115.240 flat angles P-C4'-P energy: -77.700 tors. eta vs tors. theta energy: -135.143 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: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1516.373090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.373090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.373090 (E_RNA) where: Base-Base interactions energy: -997.237 where: short stacking energy: -446.502 Base-Backbone interact. energy: 0.056 local terms energy: -519.192408 where: bonds (distance) C4'-P energy: -98.043 bonds (distance) P-C4' energy: -101.465 flat angles C4'-P-C4' energy: -113.351 flat angles P-C4'-P energy: -86.650 tors. eta vs tors. theta energy: -119.683 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1287.031983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.031983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.031983 (E_RNA) where: Base-Base interactions energy: -844.901 where: short stacking energy: -370.327 Base-Backbone interact. energy: -1.541 local terms energy: -440.589852 where: bonds (distance) C4'-P energy: -89.800 bonds (distance) P-C4' energy: -102.107 flat angles C4'-P-C4' energy: -92.975 flat angles P-C4'-P energy: -75.272 tors. eta vs tors. theta energy: -80.436 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: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1014.066204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.066204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.066204 (E_RNA) where: Base-Base interactions energy: -622.132 where: short stacking energy: -288.960 Base-Backbone interact. energy: 2.560 local terms energy: -394.493484 where: bonds (distance) C4'-P energy: -91.870 bonds (distance) P-C4' energy: -92.148 flat angles C4'-P-C4' energy: -97.475 flat angles P-C4'-P energy: -73.112 tors. eta vs tors. theta energy: -39.889 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: 299 Temperature: 1.300000 Total energy: -806.397866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.397866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.397866 (E_RNA) where: Base-Base interactions energy: -462.637 where: short stacking energy: -223.893 Base-Backbone interact. energy: 0.974 local terms energy: -344.735307 where: bonds (distance) C4'-P energy: -82.157 bonds (distance) P-C4' energy: -103.820 flat angles C4'-P-C4' energy: -83.990 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -466.919746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.919746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.919746 (E_RNA) where: Base-Base interactions energy: -138.767 where: short stacking energy: -136.621 Base-Backbone interact. energy: -0.807 local terms energy: -327.345587 where: bonds (distance) C4'-P energy: -111.369 bonds (distance) P-C4' energy: -106.746 flat angles C4'-P-C4' energy: -64.691 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: 6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2150.542217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.542217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.542217 (E_RNA) where: Base-Base interactions energy: -1498.322 where: short stacking energy: -625.857 Base-Backbone interact. energy: -3.360 local terms energy: -648.860870 where: bonds (distance) C4'-P energy: -119.835 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -133.213 flat angles P-C4'-P energy: -84.540 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: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2071.921373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.921373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.921373 (E_RNA) where: Base-Base interactions energy: -1459.024 where: short stacking energy: -592.757 Base-Backbone interact. energy: -5.136 local terms energy: -607.761793 where: bonds (distance) C4'-P energy: -104.763 bonds (distance) P-C4' energy: -123.539 flat angles C4'-P-C4' energy: -130.142 flat angles P-C4'-P energy: -85.066 tors. eta vs tors. theta energy: -164.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1883.369508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.369508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.369508 (E_RNA) where: Base-Base interactions energy: -1287.054 where: short stacking energy: -561.702 Base-Backbone interact. energy: -0.948 local terms energy: -595.367317 where: bonds (distance) C4'-P energy: -115.224 bonds (distance) P-C4' energy: -94.775 flat angles C4'-P-C4' energy: -133.304 flat angles P-C4'-P energy: -79.309 tors. eta vs tors. theta energy: -172.755 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: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1803.397077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.397077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.397077 (E_RNA) where: Base-Base interactions energy: -1236.177 where: short stacking energy: -514.369 Base-Backbone interact. energy: -5.209 local terms energy: -562.011302 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -102.544 flat angles C4'-P-C4' energy: -122.308 flat angles P-C4'-P energy: -76.081 tors. eta vs tors. theta energy: -143.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1701.310029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.310029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.310029 (E_RNA) where: Base-Base interactions energy: -1139.501 where: short stacking energy: -493.863 Base-Backbone interact. energy: -1.269 local terms energy: -560.539793 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -108.988 flat angles C4'-P-C4' energy: -127.068 flat angles P-C4'-P energy: -83.482 tors. eta vs tors. theta energy: -135.024 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: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1487.469608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.469608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.469608 (E_RNA) where: Base-Base interactions energy: -980.646 where: short stacking energy: -436.588 Base-Backbone interact. energy: 3.161 local terms energy: -509.984728 where: bonds (distance) C4'-P energy: -104.970 bonds (distance) P-C4' energy: -110.004 flat angles C4'-P-C4' energy: -110.996 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -112.983 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: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1339.900515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.900515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.900515 (E_RNA) where: Base-Base interactions energy: -867.215 where: short stacking energy: -390.861 Base-Backbone interact. energy: 2.686 local terms energy: -475.371339 where: bonds (distance) C4'-P energy: -100.575 bonds (distance) P-C4' energy: -105.617 flat angles C4'-P-C4' energy: -112.549 flat angles P-C4'-P energy: -62.629 tors. eta vs tors. theta energy: -94.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1004.412252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.412252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.412252 (E_RNA) where: Base-Base interactions energy: -619.956 where: short stacking energy: -280.605 Base-Backbone interact. energy: 3.299 local terms energy: -387.755159 where: bonds (distance) C4'-P energy: -101.726 bonds (distance) P-C4' energy: -96.397 flat angles C4'-P-C4' energy: -103.207 flat angles P-C4'-P energy: -49.815 tors. eta vs tors. theta energy: -36.610 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: 300 Temperature: 1.300000 Total energy: -834.485452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.485452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.485452 (E_RNA) where: Base-Base interactions energy: -495.687 where: short stacking energy: -260.258 Base-Backbone interact. energy: 1.633 local terms energy: -340.431628 where: bonds (distance) C4'-P energy: -84.789 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -75.244 flat angles P-C4'-P energy: -57.625 tors. eta vs tors. theta energy: -30.156 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: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -436.365315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.365315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.365315 (E_RNA) where: Base-Base interactions energy: -149.675 where: short stacking energy: -130.419 Base-Backbone interact. energy: 3.902 local terms energy: -290.592006 where: bonds (distance) C4'-P energy: -76.987 bonds (distance) P-C4' energy: -104.044 flat angles C4'-P-C4' energy: -80.782 flat angles P-C4'-P energy: -42.885 tors. eta vs tors. theta energy: 14.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2131.233754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.233754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.233754 (E_RNA) where: Base-Base interactions energy: -1479.210 where: short stacking energy: -625.891 Base-Backbone interact. energy: -2.111 local terms energy: -649.911978 where: bonds (distance) C4'-P energy: -118.270 bonds (distance) P-C4' energy: -128.994 flat angles C4'-P-C4' energy: -134.559 flat angles P-C4'-P energy: -83.398 tors. eta vs tors. theta energy: -184.692 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: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2048.714350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.714350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.714350 (E_RNA) where: Base-Base interactions energy: -1429.770 where: short stacking energy: -576.070 Base-Backbone interact. energy: -2.920 local terms energy: -616.024775 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -102.757 flat angles C4'-P-C4' energy: -119.229 flat angles P-C4'-P energy: -96.640 tors. eta vs tors. theta energy: -173.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1915.104923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.104923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.104923 (E_RNA) where: Base-Base interactions energy: -1312.453 where: short stacking energy: -532.620 Base-Backbone interact. energy: -4.297 local terms energy: -598.354649 where: bonds (distance) C4'-P energy: -104.029 bonds (distance) P-C4' energy: -119.697 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -83.109 tors. eta vs tors. theta energy: -169.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1810.637729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.637729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.637729 (E_RNA) where: Base-Base interactions energy: -1257.711 where: short stacking energy: -499.846 Base-Backbone interact. energy: 2.150 local terms energy: -555.076437 where: bonds (distance) C4'-P energy: -99.193 bonds (distance) P-C4' energy: -119.482 flat angles C4'-P-C4' energy: -127.108 flat angles P-C4'-P energy: -84.014 tors. eta vs tors. theta energy: -125.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1706.576625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.576625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.576625 (E_RNA) where: Base-Base interactions energy: -1167.773 where: short stacking energy: -497.434 Base-Backbone interact. energy: 2.696 local terms energy: -541.499576 where: bonds (distance) C4'-P energy: -100.981 bonds (distance) P-C4' energy: -115.084 flat angles C4'-P-C4' energy: -120.527 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: -133.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1487.923133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.923133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.923133 (E_RNA) where: Base-Base interactions energy: -1023.067 where: short stacking energy: -440.384 Base-Backbone interact. energy: -4.961 local terms energy: -459.895157 where: bonds (distance) C4'-P energy: -76.384 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -128.025 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -112.912 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: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1314.244017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.244017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.244017 (E_RNA) where: Base-Base interactions energy: -838.789 where: short stacking energy: -362.575 Base-Backbone interact. energy: 5.069 local terms energy: -480.524016 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -109.945 flat angles C4'-P-C4' energy: -115.740 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -91.701 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: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1006.618450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.618450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.618450 (E_RNA) where: Base-Base interactions energy: -584.043 where: short stacking energy: -247.244 Base-Backbone interact. energy: -2.831 local terms energy: -419.744842 where: bonds (distance) C4'-P energy: -102.412 bonds (distance) P-C4' energy: -98.794 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -36.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -657.774386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.774386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.774386 (E_RNA) where: Base-Base interactions energy: -317.232 where: short stacking energy: -177.972 Base-Backbone interact. energy: -2.512 local terms energy: -338.030679 where: bonds (distance) C4'-P energy: -91.224 bonds (distance) P-C4' energy: -96.031 flat angles C4'-P-C4' energy: -93.975 flat angles P-C4'-P energy: -58.143 tors. eta vs tors. theta energy: 1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -478.831816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.831816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.831816 (E_RNA) where: Base-Base interactions energy: -215.969 where: short stacking energy: -137.277 Base-Backbone interact. energy: -0.996 local terms energy: -261.867244 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -91.681 flat angles C4'-P-C4' energy: -83.396 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: 32.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2163.720246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.720246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.720246 (E_RNA) where: Base-Base interactions energy: -1525.728 where: short stacking energy: -630.220 Base-Backbone interact. energy: 1.331 local terms energy: -639.323309 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -109.088 flat angles C4'-P-C4' energy: -130.120 flat angles P-C4'-P energy: -93.608 tors. eta vs tors. theta energy: -190.908 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: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2034.382007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.382007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.382007 (E_RNA) where: Base-Base interactions energy: -1400.018 where: short stacking energy: -570.908 Base-Backbone interact. energy: -3.422 local terms energy: -630.942054 where: bonds (distance) C4'-P energy: -123.758 bonds (distance) P-C4' energy: -109.744 flat angles C4'-P-C4' energy: -139.189 flat angles P-C4'-P energy: -78.239 tors. eta vs tors. theta energy: -180.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1960.092767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.092767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.092767 (E_RNA) where: Base-Base interactions energy: -1347.804 where: short stacking energy: -574.316 Base-Backbone interact. energy: -2.104 local terms energy: -610.184919 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -112.823 flat angles C4'-P-C4' energy: -127.864 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -173.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1822.517275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.517275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.517275 (E_RNA) where: Base-Base interactions energy: -1254.356 where: short stacking energy: -511.438 Base-Backbone interact. energy: -0.621 local terms energy: -567.539654 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -111.823 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -79.378 tors. eta vs tors. theta energy: -136.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1698.827387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.827387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.827387 (E_RNA) where: Base-Base interactions energy: -1129.554 where: short stacking energy: -489.647 Base-Backbone interact. energy: -1.829 local terms energy: -567.444063 where: bonds (distance) C4'-P energy: -117.071 bonds (distance) P-C4' energy: -101.563 flat angles C4'-P-C4' energy: -127.044 flat angles P-C4'-P energy: -81.355 tors. eta vs tors. theta energy: -140.412 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: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1494.030687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.030687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.030687 (E_RNA) where: Base-Base interactions energy: -1002.349 where: short stacking energy: -428.129 Base-Backbone interact. energy: -3.696 local terms energy: -487.986332 where: bonds (distance) C4'-P energy: -111.202 bonds (distance) P-C4' energy: -100.049 flat angles C4'-P-C4' energy: -109.132 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -118.509 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: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1348.580324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.580324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.580324 (E_RNA) where: Base-Base interactions energy: -877.314 where: short stacking energy: -423.214 Base-Backbone interact. energy: -1.376 local terms energy: -469.890368 where: bonds (distance) C4'-P energy: -90.262 bonds (distance) P-C4' energy: -99.702 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -73.364 tors. eta vs tors. theta energy: -104.860 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: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1003.569989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.569989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.569989 (E_RNA) where: Base-Base interactions energy: -613.071 where: short stacking energy: -317.468 Base-Backbone interact. energy: -0.515 local terms energy: -389.984074 where: bonds (distance) C4'-P energy: -94.546 bonds (distance) P-C4' energy: -84.307 flat angles C4'-P-C4' energy: -102.654 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -44.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -636.149403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.149403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.149403 (E_RNA) where: Base-Base interactions energy: -347.773 where: short stacking energy: -177.669 Base-Backbone interact. energy: 1.062 local terms energy: -289.438855 where: bonds (distance) C4'-P energy: -85.796 bonds (distance) P-C4' energy: -96.605 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -42.391 tors. eta vs tors. theta energy: 13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -508.555243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.555243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.555243 (E_RNA) where: Base-Base interactions energy: -200.214 where: short stacking energy: -125.300 Base-Backbone interact. energy: 6.203 local terms energy: -314.544181 where: bonds (distance) C4'-P energy: -109.151 bonds (distance) P-C4' energy: -92.801 flat angles C4'-P-C4' energy: -97.417 flat angles P-C4'-P energy: -49.925 tors. eta vs tors. theta energy: 34.749 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: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2114.218293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.218293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.218293 (E_RNA) where: Base-Base interactions energy: -1439.192 where: short stacking energy: -613.151 Base-Backbone interact. energy: -1.727 local terms energy: -673.299829 where: bonds (distance) C4'-P energy: -124.818 bonds (distance) P-C4' energy: -125.398 flat angles C4'-P-C4' energy: -131.054 flat angles P-C4'-P energy: -100.544 tors. eta vs tors. theta energy: -191.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2048.028639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.028639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.028639 (E_RNA) where: Base-Base interactions energy: -1421.852 where: short stacking energy: -586.551 Base-Backbone interact. energy: 0.649 local terms energy: -626.824988 where: bonds (distance) C4'-P energy: -120.921 bonds (distance) P-C4' energy: -117.116 flat angles C4'-P-C4' energy: -127.881 flat angles P-C4'-P energy: -90.128 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: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1931.742280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.742280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.742280 (E_RNA) where: Base-Base interactions energy: -1300.621 where: short stacking energy: -556.043 Base-Backbone interact. energy: -2.674 local terms energy: -628.447497 where: bonds (distance) C4'-P energy: -112.020 bonds (distance) P-C4' energy: -128.524 flat angles C4'-P-C4' energy: -135.561 flat angles P-C4'-P energy: -81.290 tors. eta vs tors. theta energy: -171.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1783.710189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.710189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.710189 (E_RNA) where: Base-Base interactions energy: -1248.190 where: short stacking energy: -513.963 Base-Backbone interact. energy: -4.976 local terms energy: -530.543621 where: bonds (distance) C4'-P energy: -107.908 bonds (distance) P-C4' energy: -105.968 flat angles C4'-P-C4' energy: -114.293 flat angles P-C4'-P energy: -72.308 tors. eta vs tors. theta energy: -130.067 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: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1684.978325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.978325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.978325 (E_RNA) where: Base-Base interactions energy: -1135.342 where: short stacking energy: -472.050 Base-Backbone interact. energy: -0.703 local terms energy: -548.933760 where: bonds (distance) C4'-P energy: -112.085 bonds (distance) P-C4' energy: -102.782 flat angles C4'-P-C4' energy: -121.511 flat angles P-C4'-P energy: -85.274 tors. eta vs tors. theta energy: -127.282 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: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1527.579334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.579334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.579334 (E_RNA) where: Base-Base interactions energy: -1008.125 where: short stacking energy: -437.752 Base-Backbone interact. energy: -1.440 local terms energy: -518.013726 where: bonds (distance) C4'-P energy: -101.697 bonds (distance) P-C4' energy: -118.369 flat angles C4'-P-C4' energy: -109.396 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -117.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1369.161630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.161630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.161630 (E_RNA) where: Base-Base interactions energy: -873.873 where: short stacking energy: -412.582 Base-Backbone interact. energy: 0.704 local terms energy: -495.993038 where: bonds (distance) C4'-P energy: -99.724 bonds (distance) P-C4' energy: -110.172 flat angles C4'-P-C4' energy: -106.990 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -102.840 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: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1074.064079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.064079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.064079 (E_RNA) where: Base-Base interactions energy: -671.022 where: short stacking energy: -297.129 Base-Backbone interact. energy: 1.815 local terms energy: -404.857343 where: bonds (distance) C4'-P energy: -108.774 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -90.476 flat angles P-C4'-P energy: -49.312 tors. eta vs tors. theta energy: -51.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -657.165103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.165103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.165103 (E_RNA) where: Base-Base interactions energy: -311.514 where: short stacking energy: -185.737 Base-Backbone interact. energy: -1.541 local terms energy: -344.109770 where: bonds (distance) C4'-P energy: -97.858 bonds (distance) P-C4' energy: -111.907 flat angles C4'-P-C4' energy: -84.304 flat angles P-C4'-P energy: -46.567 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -520.448092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.448092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.448092 (E_RNA) where: Base-Base interactions energy: -209.463 where: short stacking energy: -140.610 Base-Backbone interact. energy: -3.019 local terms energy: -307.966153 where: bonds (distance) C4'-P energy: -90.567 bonds (distance) P-C4' energy: -105.440 flat angles C4'-P-C4' energy: -92.957 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: 19.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2102.534023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.534023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.534023 (E_RNA) where: Base-Base interactions energy: -1470.179 where: short stacking energy: -604.254 Base-Backbone interact. energy: -0.056 local terms energy: -632.299030 where: bonds (distance) C4'-P energy: -111.771 bonds (distance) P-C4' energy: -122.114 flat angles C4'-P-C4' energy: -126.757 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -178.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2027.940020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.940020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.940020 (E_RNA) where: Base-Base interactions energy: -1411.051 where: short stacking energy: -583.893 Base-Backbone interact. energy: -4.805 local terms energy: -612.084505 where: bonds (distance) C4'-P energy: -116.920 bonds (distance) P-C4' energy: -102.307 flat angles C4'-P-C4' energy: -130.339 flat angles P-C4'-P energy: -88.478 tors. eta vs tors. theta energy: -174.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1906.711034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.711034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.711034 (E_RNA) where: Base-Base interactions energy: -1293.747 where: short stacking energy: -559.524 Base-Backbone interact. energy: -0.615 local terms energy: -612.348963 where: bonds (distance) C4'-P energy: -114.456 bonds (distance) P-C4' energy: -107.760 flat angles C4'-P-C4' energy: -134.074 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -175.593 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: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1793.936832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.936832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.936832 (E_RNA) where: Base-Base interactions energy: -1233.838 where: short stacking energy: -501.552 Base-Backbone interact. energy: -1.838 local terms energy: -558.260685 where: bonds (distance) C4'-P energy: -106.565 bonds (distance) P-C4' energy: -115.318 flat angles C4'-P-C4' energy: -120.178 flat angles P-C4'-P energy: -95.568 tors. eta vs tors. theta energy: -120.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1694.999410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.999410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.999410 (E_RNA) where: Base-Base interactions energy: -1145.762 where: short stacking energy: -506.856 Base-Backbone interact. energy: -1.432 local terms energy: -547.805029 where: bonds (distance) C4'-P energy: -102.718 bonds (distance) P-C4' energy: -96.205 flat angles C4'-P-C4' energy: -117.878 flat angles P-C4'-P energy: -76.773 tors. eta vs tors. theta energy: -154.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1620.020826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.020826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.020826 (E_RNA) where: Base-Base interactions energy: -1087.590 where: short stacking energy: -465.510 Base-Backbone interact. energy: -0.396 local terms energy: -532.034079 where: bonds (distance) C4'-P energy: -108.432 bonds (distance) P-C4' energy: -101.322 flat angles C4'-P-C4' energy: -107.088 flat angles P-C4'-P energy: -78.826 tors. eta vs tors. theta energy: -136.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1343.095059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.095059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.095059 (E_RNA) where: Base-Base interactions energy: -856.040 where: short stacking energy: -378.514 Base-Backbone interact. energy: 1.172 local terms energy: -488.226812 where: bonds (distance) C4'-P energy: -103.655 bonds (distance) P-C4' energy: -104.295 flat angles C4'-P-C4' energy: -122.770 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -94.274 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: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1061.077717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.077717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.077717 (E_RNA) where: Base-Base interactions energy: -678.037 where: short stacking energy: -293.364 Base-Backbone interact. energy: -1.384 local terms energy: -381.656815 where: bonds (distance) C4'-P energy: -95.217 bonds (distance) P-C4' energy: -96.273 flat angles C4'-P-C4' energy: -87.774 flat angles P-C4'-P energy: -54.221 tors. eta vs tors. theta energy: -48.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -694.018373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.018373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.018373 (E_RNA) where: Base-Base interactions energy: -339.278 where: short stacking energy: -191.200 Base-Backbone interact. energy: 1.932 local terms energy: -356.672499 where: bonds (distance) C4'-P energy: -110.247 bonds (distance) P-C4' energy: -103.713 flat angles C4'-P-C4' energy: -78.666 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -17.632 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: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -536.850730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.850730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.850730 (E_RNA) where: Base-Base interactions energy: -228.413 where: short stacking energy: -145.779 Base-Backbone interact. energy: 2.718 local terms energy: -311.155875 where: bonds (distance) C4'-P energy: -89.227 bonds (distance) P-C4' energy: -109.481 flat angles C4'-P-C4' energy: -87.392 flat angles P-C4'-P energy: -45.356 tors. eta vs tors. theta energy: 20.299 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: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2118.497865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.497865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.497865 (E_RNA) where: Base-Base interactions energy: -1483.061 where: short stacking energy: -611.294 Base-Backbone interact. energy: -1.213 local terms energy: -634.224412 where: bonds (distance) C4'-P energy: -116.964 bonds (distance) P-C4' energy: -128.935 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -86.016 tors. eta vs tors. theta energy: -175.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2054.813557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.813557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.813557 (E_RNA) where: Base-Base interactions energy: -1409.164 where: short stacking energy: -580.142 Base-Backbone interact. energy: -3.298 local terms energy: -642.351397 where: bonds (distance) C4'-P energy: -123.192 bonds (distance) P-C4' energy: -116.628 flat angles C4'-P-C4' energy: -138.944 flat angles P-C4'-P energy: -88.365 tors. eta vs tors. theta energy: -175.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1922.016525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.016525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.016525 (E_RNA) where: Base-Base interactions energy: -1312.099 where: short stacking energy: -565.048 Base-Backbone interact. energy: -3.470 local terms energy: -606.447319 where: bonds (distance) C4'-P energy: -116.807 bonds (distance) P-C4' energy: -112.687 flat angles C4'-P-C4' energy: -113.277 flat angles P-C4'-P energy: -94.298 tors. eta vs tors. theta energy: -169.379 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: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1751.064077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.064077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.064077 (E_RNA) where: Base-Base interactions energy: -1219.914 where: short stacking energy: -500.993 Base-Backbone interact. energy: -1.427 local terms energy: -529.722754 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -100.463 flat angles C4'-P-C4' energy: -125.221 flat angles P-C4'-P energy: -72.915 tors. eta vs tors. theta energy: -122.874 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: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1667.988050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.988050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.988050 (E_RNA) where: Base-Base interactions energy: -1115.266 where: short stacking energy: -475.516 Base-Backbone interact. energy: 0.492 local terms energy: -553.214160 where: bonds (distance) C4'-P energy: -109.990 bonds (distance) P-C4' energy: -121.880 flat angles C4'-P-C4' energy: -124.880 flat angles P-C4'-P energy: -72.935 tors. eta vs tors. theta energy: -123.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1561.573505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.573505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.573505 (E_RNA) where: Base-Base interactions energy: -1025.962 where: short stacking energy: -456.446 Base-Backbone interact. energy: -3.089 local terms energy: -532.522186 where: bonds (distance) C4'-P energy: -102.563 bonds (distance) P-C4' energy: -109.501 flat angles C4'-P-C4' energy: -127.707 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -125.812 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: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1350.085963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.085963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.085963 (E_RNA) where: Base-Base interactions energy: -873.436 where: short stacking energy: -381.975 Base-Backbone interact. energy: -0.302 local terms energy: -476.347423 where: bonds (distance) C4'-P energy: -96.407 bonds (distance) P-C4' energy: -102.699 flat angles C4'-P-C4' energy: -109.757 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -95.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1014.451158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.451158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.451158 (E_RNA) where: Base-Base interactions energy: -601.486 where: short stacking energy: -256.391 Base-Backbone interact. energy: 3.581 local terms energy: -416.546002 where: bonds (distance) C4'-P energy: -103.665 bonds (distance) P-C4' energy: -119.656 flat angles C4'-P-C4' energy: -89.794 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: -39.930 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: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -681.517630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.517630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.517630 (E_RNA) where: Base-Base interactions energy: -325.371 where: short stacking energy: -179.542 Base-Backbone interact. energy: 5.253 local terms energy: -361.399375 where: bonds (distance) C4'-P energy: -110.589 bonds (distance) P-C4' energy: -103.220 flat angles C4'-P-C4' energy: -91.685 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: 5.557 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: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -520.270528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.270528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.270528 (E_RNA) where: Base-Base interactions energy: -215.896 where: short stacking energy: -143.857 Base-Backbone interact. energy: 9.942 local terms energy: -314.316905 where: bonds (distance) C4'-P energy: -94.114 bonds (distance) P-C4' energy: -107.747 flat angles C4'-P-C4' energy: -79.215 flat angles P-C4'-P energy: -45.944 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: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2137.154814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.154814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.154814 (E_RNA) where: Base-Base interactions energy: -1480.956 where: short stacking energy: -636.543 Base-Backbone interact. energy: -0.718 local terms energy: -655.480706 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -122.936 flat angles C4'-P-C4' energy: -135.327 flat angles P-C4'-P energy: -99.377 tors. eta vs tors. theta energy: -188.059 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: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2049.182632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.182632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.182632 (E_RNA) where: Base-Base interactions energy: -1422.208 where: short stacking energy: -590.333 Base-Backbone interact. energy: 1.349 local terms energy: -628.322921 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -119.229 flat angles C4'-P-C4' energy: -136.045 flat angles P-C4'-P energy: -95.845 tors. eta vs tors. theta energy: -182.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1910.931293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.931293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.931293 (E_RNA) where: Base-Base interactions energy: -1293.319 where: short stacking energy: -547.026 Base-Backbone interact. energy: -1.304 local terms energy: -616.309043 where: bonds (distance) C4'-P energy: -118.016 bonds (distance) P-C4' energy: -111.964 flat angles C4'-P-C4' energy: -136.206 flat angles P-C4'-P energy: -92.214 tors. eta vs tors. theta energy: -157.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1749.752546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.752546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.752546 (E_RNA) where: Base-Base interactions energy: -1202.211 where: short stacking energy: -490.232 Base-Backbone interact. energy: -4.258 local terms energy: -543.283589 where: bonds (distance) C4'-P energy: -110.259 bonds (distance) P-C4' energy: -110.580 flat angles C4'-P-C4' energy: -127.559 flat angles P-C4'-P energy: -74.108 tors. eta vs tors. theta energy: -120.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1694.944772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.944772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.944772 (E_RNA) where: Base-Base interactions energy: -1160.608 where: short stacking energy: -490.456 Base-Backbone interact. energy: -1.479 local terms energy: -532.858106 where: bonds (distance) C4'-P energy: -99.877 bonds (distance) P-C4' energy: -103.040 flat angles C4'-P-C4' energy: -116.256 flat angles P-C4'-P energy: -83.561 tors. eta vs tors. theta energy: -130.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1568.349350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.349350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.349350 (E_RNA) where: Base-Base interactions energy: -1070.245 where: short stacking energy: -471.510 Base-Backbone interact. energy: -2.773 local terms energy: -495.331595 where: bonds (distance) C4'-P energy: -88.899 bonds (distance) P-C4' energy: -94.227 flat angles C4'-P-C4' energy: -112.387 flat angles P-C4'-P energy: -63.630 tors. eta vs tors. theta energy: -136.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1279.656932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.656932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.656932 (E_RNA) where: Base-Base interactions energy: -824.568 where: short stacking energy: -356.202 Base-Backbone interact. energy: -2.005 local terms energy: -453.084015 where: bonds (distance) C4'-P energy: -101.069 bonds (distance) P-C4' energy: -90.243 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -84.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1065.150176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.150176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.150176 (E_RNA) where: Base-Base interactions energy: -650.501 where: short stacking energy: -278.066 Base-Backbone interact. energy: -4.027 local terms energy: -410.622399 where: bonds (distance) C4'-P energy: -104.973 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -90.494 flat angles P-C4'-P energy: -53.238 tors. eta vs tors. theta energy: -61.763 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: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -684.404734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.404734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.404734 (E_RNA) where: Base-Base interactions energy: -335.802 where: short stacking energy: -188.433 Base-Backbone interact. energy: 0.911 local terms energy: -349.513299 where: bonds (distance) C4'-P energy: -100.863 bonds (distance) P-C4' energy: -102.430 flat angles C4'-P-C4' energy: -74.918 flat angles P-C4'-P energy: -61.294 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: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -528.415606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.415606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.415606 (E_RNA) where: Base-Base interactions energy: -230.887 where: short stacking energy: -149.397 Base-Backbone interact. energy: -0.366 local terms energy: -297.162713 where: bonds (distance) C4'-P energy: -92.218 bonds (distance) P-C4' energy: -94.949 flat angles C4'-P-C4' energy: -86.229 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: 30.600 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: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2124.259235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.259235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.259235 (E_RNA) where: Base-Base interactions energy: -1473.043 where: short stacking energy: -610.904 Base-Backbone interact. energy: -3.412 local terms energy: -647.804921 where: bonds (distance) C4'-P energy: -117.552 bonds (distance) P-C4' energy: -123.391 flat angles C4'-P-C4' energy: -137.948 flat angles P-C4'-P energy: -86.780 tors. eta vs tors. theta energy: -182.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2047.009023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.009023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.009023 (E_RNA) where: Base-Base interactions energy: -1415.709 where: short stacking energy: -596.331 Base-Backbone interact. energy: -2.604 local terms energy: -628.696493 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -111.171 flat angles C4'-P-C4' energy: -128.496 flat angles P-C4'-P energy: -88.467 tors. eta vs tors. theta energy: -186.300 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: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1923.948880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.948880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.948880 (E_RNA) where: Base-Base interactions energy: -1339.744 where: short stacking energy: -564.730 Base-Backbone interact. energy: -1.882 local terms energy: -582.323478 where: bonds (distance) C4'-P energy: -113.822 bonds (distance) P-C4' energy: -108.866 flat angles C4'-P-C4' energy: -110.997 flat angles P-C4'-P energy: -81.344 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: 307 Temperature: 1.050000 Total energy: -1762.236145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.236145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.236145 (E_RNA) where: Base-Base interactions energy: -1216.769 where: short stacking energy: -491.494 Base-Backbone interact. energy: -3.511 local terms energy: -541.956069 where: bonds (distance) C4'-P energy: -94.904 bonds (distance) P-C4' energy: -105.372 flat angles C4'-P-C4' energy: -118.649 flat angles P-C4'-P energy: -91.800 tors. eta vs tors. theta energy: -131.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1682.546571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.546571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.546571 (E_RNA) where: Base-Base interactions energy: -1139.766 where: short stacking energy: -503.792 Base-Backbone interact. energy: 2.115 local terms energy: -544.895838 where: bonds (distance) C4'-P energy: -108.084 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -117.174 flat angles P-C4'-P energy: -79.821 tors. eta vs tors. theta energy: -123.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1589.162199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.162199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.162199 (E_RNA) where: Base-Base interactions energy: -1057.874 where: short stacking energy: -462.685 Base-Backbone interact. energy: 1.938 local terms energy: -533.226127 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -100.795 flat angles C4'-P-C4' energy: -109.533 flat angles P-C4'-P energy: -78.433 tors. eta vs tors. theta energy: -138.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1413.529367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.529367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.529367 (E_RNA) where: Base-Base interactions energy: -916.021 where: short stacking energy: -430.939 Base-Backbone interact. energy: -0.546 local terms energy: -496.962738 where: bonds (distance) C4'-P energy: -120.379 bonds (distance) P-C4' energy: -96.962 flat angles C4'-P-C4' energy: -104.360 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: -103.986 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: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1026.871972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.871972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.871972 (E_RNA) where: Base-Base interactions energy: -616.604 where: short stacking energy: -280.268 Base-Backbone interact. energy: -2.151 local terms energy: -408.116560 where: bonds (distance) C4'-P energy: -90.909 bonds (distance) P-C4' energy: -109.034 flat angles C4'-P-C4' energy: -98.512 flat angles P-C4'-P energy: -65.038 tors. eta vs tors. theta energy: -44.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -677.768170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.768170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.768170 (E_RNA) where: Base-Base interactions energy: -351.067 where: short stacking energy: -185.936 Base-Backbone interact. energy: 9.623 local terms energy: -336.324491 where: bonds (distance) C4'-P energy: -95.926 bonds (distance) P-C4' energy: -95.457 flat angles C4'-P-C4' energy: -79.487 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: 0.075 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: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -541.321757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.321757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.321757 (E_RNA) where: Base-Base interactions energy: -223.389 where: short stacking energy: -120.152 Base-Backbone interact. energy: -1.818 local terms energy: -316.114806 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -103.656 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: 14.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2100.116253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.116253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.116253 (E_RNA) where: Base-Base interactions energy: -1472.569 where: short stacking energy: -580.371 Base-Backbone interact. energy: -2.001 local terms energy: -625.545647 where: bonds (distance) C4'-P energy: -128.948 bonds (distance) P-C4' energy: -113.710 flat angles C4'-P-C4' energy: -128.861 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -169.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2033.585625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.585625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.585625 (E_RNA) where: Base-Base interactions energy: -1403.871 where: short stacking energy: -588.091 Base-Backbone interact. energy: -4.879 local terms energy: -624.836374 where: bonds (distance) C4'-P energy: -107.969 bonds (distance) P-C4' energy: -118.910 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -83.165 tors. eta vs tors. theta energy: -178.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1915.133904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.133904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.133904 (E_RNA) where: Base-Base interactions energy: -1315.679 where: short stacking energy: -542.448 Base-Backbone interact. energy: -4.326 local terms energy: -595.128578 where: bonds (distance) C4'-P energy: -104.244 bonds (distance) P-C4' energy: -116.986 flat angles C4'-P-C4' energy: -130.018 flat angles P-C4'-P energy: -77.074 tors. eta vs tors. theta energy: -166.806 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: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1728.922182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.922182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.922182 (E_RNA) where: Base-Base interactions energy: -1165.722 where: short stacking energy: -480.365 Base-Backbone interact. energy: -1.060 local terms energy: -562.139969 where: bonds (distance) C4'-P energy: -115.876 bonds (distance) P-C4' energy: -131.259 flat angles C4'-P-C4' energy: -107.823 flat angles P-C4'-P energy: -84.269 tors. eta vs tors. theta energy: -122.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1690.664760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.664760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.664760 (E_RNA) where: Base-Base interactions energy: -1143.511 where: short stacking energy: -502.992 Base-Backbone interact. energy: -1.734 local terms energy: -545.419481 where: bonds (distance) C4'-P energy: -89.530 bonds (distance) P-C4' energy: -114.562 flat angles C4'-P-C4' energy: -124.067 flat angles P-C4'-P energy: -76.872 tors. eta vs tors. theta energy: -140.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1604.829629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.829629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.829629 (E_RNA) where: Base-Base interactions energy: -1047.543 where: short stacking energy: -461.886 Base-Backbone interact. energy: -1.030 local terms energy: -556.256187 where: bonds (distance) C4'-P energy: -116.747 bonds (distance) P-C4' energy: -102.522 flat angles C4'-P-C4' energy: -130.689 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -130.763 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: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1362.126338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.126338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.126338 (E_RNA) where: Base-Base interactions energy: -902.469 where: short stacking energy: -393.225 Base-Backbone interact. energy: 2.284 local terms energy: -461.941211 where: bonds (distance) C4'-P energy: -88.293 bonds (distance) P-C4' energy: -112.975 flat angles C4'-P-C4' energy: -102.437 flat angles P-C4'-P energy: -80.487 tors. eta vs tors. theta energy: -77.750 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: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1024.661388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.661388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.661388 (E_RNA) where: Base-Base interactions energy: -648.808 where: short stacking energy: -286.631 Base-Backbone interact. energy: -4.115 local terms energy: -371.738817 where: bonds (distance) C4'-P energy: -92.419 bonds (distance) P-C4' energy: -96.272 flat angles C4'-P-C4' energy: -102.750 flat angles P-C4'-P energy: -43.817 tors. eta vs tors. theta energy: -36.481 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: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -668.157725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.157725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.157725 (E_RNA) where: Base-Base interactions energy: -340.591 where: short stacking energy: -186.117 Base-Backbone interact. energy: -0.720 local terms energy: -326.846286 where: bonds (distance) C4'-P energy: -106.609 bonds (distance) P-C4' energy: -97.748 flat angles C4'-P-C4' energy: -73.914 flat angles P-C4'-P energy: -54.653 tors. eta vs tors. theta energy: 6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -586.636445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.636445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.636445 (E_RNA) where: Base-Base interactions energy: -283.857 where: short stacking energy: -150.127 Base-Backbone interact. energy: -1.461 local terms energy: -301.318354 where: bonds (distance) C4'-P energy: -99.172 bonds (distance) P-C4' energy: -72.040 flat angles C4'-P-C4' energy: -74.351 flat angles P-C4'-P energy: -54.528 tors. eta vs tors. theta energy: -1.227 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: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2114.519832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.519832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.519832 (E_RNA) where: Base-Base interactions energy: -1478.905 where: short stacking energy: -597.537 Base-Backbone interact. energy: -1.344 local terms energy: -634.270900 where: bonds (distance) C4'-P energy: -121.977 bonds (distance) P-C4' energy: -122.177 flat angles C4'-P-C4' energy: -126.891 flat angles P-C4'-P energy: -89.184 tors. eta vs tors. theta energy: -174.042 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: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2022.353865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.353865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.353865 (E_RNA) where: Base-Base interactions energy: -1389.995 where: short stacking energy: -603.725 Base-Backbone interact. energy: -1.329 local terms energy: -631.029544 where: bonds (distance) C4'-P energy: -112.111 bonds (distance) P-C4' energy: -114.225 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -77.485 tors. eta vs tors. theta energy: -189.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1926.782198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.782198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.782198 (E_RNA) where: Base-Base interactions energy: -1335.592 where: short stacking energy: -560.865 Base-Backbone interact. energy: -2.707 local terms energy: -588.483782 where: bonds (distance) C4'-P energy: -106.946 bonds (distance) P-C4' energy: -108.260 flat angles C4'-P-C4' energy: -129.753 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -169.355 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1717.797476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.797476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.797476 (E_RNA) where: Base-Base interactions energy: -1199.764 where: short stacking energy: -478.136 Base-Backbone interact. energy: -0.147 local terms energy: -517.886515 where: bonds (distance) C4'-P energy: -107.364 bonds (distance) P-C4' energy: -100.177 flat angles C4'-P-C4' energy: -119.247 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -111.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1626.298214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.298214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.298214 (E_RNA) where: Base-Base interactions energy: -1085.500 where: short stacking energy: -477.807 Base-Backbone interact. energy: -3.612 local terms energy: -537.186121 where: bonds (distance) C4'-P energy: -111.212 bonds (distance) P-C4' energy: -106.192 flat angles C4'-P-C4' energy: -110.709 flat angles P-C4'-P energy: -87.043 tors. eta vs tors. theta energy: -122.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1587.264749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.264749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.264749 (E_RNA) where: Base-Base interactions energy: -1036.994 where: short stacking energy: -465.667 Base-Backbone interact. energy: -1.191 local terms energy: -549.079209 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -108.359 flat angles C4'-P-C4' energy: -121.408 flat angles P-C4'-P energy: -86.204 tors. eta vs tors. theta energy: -137.983 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: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1415.217028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.217028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.217028 (E_RNA) where: Base-Base interactions energy: -940.539 where: short stacking energy: -405.728 Base-Backbone interact. energy: -2.145 local terms energy: -472.533946 where: bonds (distance) C4'-P energy: -106.598 bonds (distance) P-C4' energy: -99.459 flat angles C4'-P-C4' energy: -99.049 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -107.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1001.290374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.290374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.290374 (E_RNA) where: Base-Base interactions energy: -629.859 where: short stacking energy: -257.193 Base-Backbone interact. energy: -1.545 local terms energy: -369.886260 where: bonds (distance) C4'-P energy: -102.090 bonds (distance) P-C4' energy: -107.334 flat angles C4'-P-C4' energy: -77.567 flat angles P-C4'-P energy: -52.978 tors. eta vs tors. theta energy: -29.918 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: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -663.367570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.367570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.367570 (E_RNA) where: Base-Base interactions energy: -326.761 where: short stacking energy: -168.702 Base-Backbone interact. energy: 0.774 local terms energy: -337.380681 where: bonds (distance) C4'-P energy: -96.600 bonds (distance) P-C4' energy: -115.300 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -48.693 tors. eta vs tors. theta energy: 2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -548.245410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.245410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.245410 (E_RNA) where: Base-Base interactions energy: -252.450 where: short stacking energy: -159.907 Base-Backbone interact. energy: 1.716 local terms energy: -297.511706 where: bonds (distance) C4'-P energy: -94.545 bonds (distance) P-C4' energy: -97.923 flat angles C4'-P-C4' energy: -71.855 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: 8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2130.767593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.767593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.767593 (E_RNA) where: Base-Base interactions energy: -1488.585 where: short stacking energy: -595.130 Base-Backbone interact. energy: -0.997 local terms energy: -641.184912 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -123.101 flat angles C4'-P-C4' energy: -124.956 flat angles P-C4'-P energy: -94.459 tors. eta vs tors. theta energy: -180.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2046.868498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.868498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.868498 (E_RNA) where: Base-Base interactions energy: -1413.829 where: short stacking energy: -587.186 Base-Backbone interact. energy: -5.956 local terms energy: -627.082747 where: bonds (distance) C4'-P energy: -116.429 bonds (distance) P-C4' energy: -121.550 flat angles C4'-P-C4' energy: -130.348 flat angles P-C4'-P energy: -77.312 tors. eta vs tors. theta energy: -181.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1886.901985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.901985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.901985 (E_RNA) where: Base-Base interactions energy: -1319.992 where: short stacking energy: -544.247 Base-Backbone interact. energy: -3.075 local terms energy: -563.834602 where: bonds (distance) C4'-P energy: -112.846 bonds (distance) P-C4' energy: -100.518 flat angles C4'-P-C4' energy: -110.630 flat angles P-C4'-P energy: -82.513 tors. eta vs tors. theta energy: -157.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1796.101453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.101453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.101453 (E_RNA) where: Base-Base interactions energy: -1252.674 where: short stacking energy: -491.012 Base-Backbone interact. energy: 0.984 local terms energy: -544.410989 where: bonds (distance) C4'-P energy: -113.704 bonds (distance) P-C4' energy: -107.246 flat angles C4'-P-C4' energy: -109.761 flat angles P-C4'-P energy: -89.132 tors. eta vs tors. theta energy: -124.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1616.585166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.585166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.585166 (E_RNA) where: Base-Base interactions energy: -1098.662 where: short stacking energy: -475.952 Base-Backbone interact. energy: -2.246 local terms energy: -515.677573 where: bonds (distance) C4'-P energy: -105.201 bonds (distance) P-C4' energy: -101.343 flat angles C4'-P-C4' energy: -119.745 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -135.611 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: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1566.090140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.090140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.090140 (E_RNA) where: Base-Base interactions energy: -1094.426 where: short stacking energy: -434.134 Base-Backbone interact. energy: 1.132 local terms energy: -472.795638 where: bonds (distance) C4'-P energy: -95.153 bonds (distance) P-C4' energy: -95.933 flat angles C4'-P-C4' energy: -97.391 flat angles P-C4'-P energy: -70.891 tors. eta vs tors. theta energy: -113.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1384.917955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.917955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.917955 (E_RNA) where: Base-Base interactions energy: -888.471 where: short stacking energy: -409.019 Base-Backbone interact. energy: -0.649 local terms energy: -495.798256 where: bonds (distance) C4'-P energy: -104.759 bonds (distance) P-C4' energy: -106.846 flat angles C4'-P-C4' energy: -107.581 flat angles P-C4'-P energy: -63.998 tors. eta vs tors. theta energy: -112.613 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: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1019.865407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.865407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.865407 (E_RNA) where: Base-Base interactions energy: -616.671 where: short stacking energy: -296.099 Base-Backbone interact. energy: -2.287 local terms energy: -400.907784 where: bonds (distance) C4'-P energy: -101.328 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -106.683 flat angles P-C4'-P energy: -36.288 tors. eta vs tors. theta energy: -44.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -654.359477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.359477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.359477 (E_RNA) where: Base-Base interactions energy: -325.645 where: short stacking energy: -183.124 Base-Backbone interact. energy: 0.564 local terms energy: -329.278536 where: bonds (distance) C4'-P energy: -106.001 bonds (distance) P-C4' energy: -93.188 flat angles C4'-P-C4' energy: -91.054 flat angles P-C4'-P energy: -30.004 tors. eta vs tors. theta energy: -9.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -495.389246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.389246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.389246 (E_RNA) where: Base-Base interactions energy: -205.771 where: short stacking energy: -134.860 Base-Backbone interact. energy: -2.101 local terms energy: -287.517473 where: bonds (distance) C4'-P energy: -92.208 bonds (distance) P-C4' energy: -85.681 flat angles C4'-P-C4' energy: -69.094 flat angles P-C4'-P energy: -61.584 tors. eta vs tors. theta energy: 21.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2146.859553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.859553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.859553 (E_RNA) where: Base-Base interactions energy: -1483.386 where: short stacking energy: -631.318 Base-Backbone interact. energy: -3.780 local terms energy: -659.693687 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -114.530 flat angles C4'-P-C4' energy: -146.664 flat angles P-C4'-P energy: -89.545 tors. eta vs tors. theta energy: -191.375 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: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2045.058397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.058397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.058397 (E_RNA) where: Base-Base interactions energy: -1395.991 where: short stacking energy: -586.846 Base-Backbone interact. energy: -4.158 local terms energy: -644.908926 where: bonds (distance) C4'-P energy: -103.850 bonds (distance) P-C4' energy: -129.042 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -96.044 tors. eta vs tors. theta energy: -182.103 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: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1883.085882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.085882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.085882 (E_RNA) where: Base-Base interactions energy: -1290.117 where: short stacking energy: -566.525 Base-Backbone interact. energy: -2.240 local terms energy: -590.729715 where: bonds (distance) C4'-P energy: -101.556 bonds (distance) P-C4' energy: -106.292 flat angles C4'-P-C4' energy: -119.226 flat angles P-C4'-P energy: -85.841 tors. eta vs tors. theta energy: -177.816 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: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1763.029913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.029913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.029913 (E_RNA) where: Base-Base interactions energy: -1216.751 where: short stacking energy: -523.295 Base-Backbone interact. energy: -4.501 local terms energy: -541.777048 where: bonds (distance) C4'-P energy: -104.907 bonds (distance) P-C4' energy: -111.887 flat angles C4'-P-C4' energy: -116.534 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -140.035 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: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1659.886325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.886325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.886325 (E_RNA) where: Base-Base interactions energy: -1133.264 where: short stacking energy: -523.021 Base-Backbone interact. energy: -0.696 local terms energy: -525.926385 where: bonds (distance) C4'-P energy: -100.022 bonds (distance) P-C4' energy: -87.854 flat angles C4'-P-C4' energy: -118.967 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -137.304 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: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1570.156307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.156307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.156307 (E_RNA) where: Base-Base interactions energy: -1041.266 where: short stacking energy: -469.909 Base-Backbone interact. energy: -1.320 local terms energy: -527.570802 where: bonds (distance) C4'-P energy: -108.483 bonds (distance) P-C4' energy: -104.545 flat angles C4'-P-C4' energy: -123.869 flat angles P-C4'-P energy: -69.187 tors. eta vs tors. theta energy: -121.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1366.176830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.176830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.176830 (E_RNA) where: Base-Base interactions energy: -882.600 where: short stacking energy: -403.419 Base-Backbone interact. energy: -0.972 local terms energy: -482.604212 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -104.315 flat angles C4'-P-C4' energy: -103.176 flat angles P-C4'-P energy: -71.178 tors. eta vs tors. theta energy: -92.955 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: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1037.857971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.857971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.857971 (E_RNA) where: Base-Base interactions energy: -661.375 where: short stacking energy: -295.239 Base-Backbone interact. energy: 0.518 local terms energy: -377.001194 where: bonds (distance) C4'-P energy: -92.609 bonds (distance) P-C4' energy: -105.505 flat angles C4'-P-C4' energy: -101.772 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -41.055 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: 311 Temperature: 1.300000 Total energy: -695.598339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.598339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.598339 (E_RNA) where: Base-Base interactions energy: -372.959 where: short stacking energy: -212.273 Base-Backbone interact. energy: 5.512 local terms energy: -328.151648 where: bonds (distance) C4'-P energy: -92.403 bonds (distance) P-C4' energy: -96.016 flat angles C4'-P-C4' energy: -91.042 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -502.200340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.200340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.200340 (E_RNA) where: Base-Base interactions energy: -204.832 where: short stacking energy: -162.247 Base-Backbone interact. energy: -0.952 local terms energy: -296.416352 where: bonds (distance) C4'-P energy: -77.948 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -84.869 flat angles P-C4'-P energy: -42.080 tors. eta vs tors. theta energy: 11.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2128.460609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.460609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.460609 (E_RNA) where: Base-Base interactions energy: -1481.304 where: short stacking energy: -603.960 Base-Backbone interact. energy: -0.881 local terms energy: -646.275918 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -112.592 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -96.175 tors. eta vs tors. theta energy: -180.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2038.988083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.988083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.988083 (E_RNA) where: Base-Base interactions energy: -1402.110 where: short stacking energy: -588.675 Base-Backbone interact. energy: -4.079 local terms energy: -632.798794 where: bonds (distance) C4'-P energy: -97.478 bonds (distance) P-C4' energy: -122.874 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -92.467 tors. eta vs tors. theta energy: -180.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1892.919350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.919350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.919350 (E_RNA) where: Base-Base interactions energy: -1282.892 where: short stacking energy: -555.537 Base-Backbone interact. energy: -3.373 local terms energy: -606.654552 where: bonds (distance) C4'-P energy: -113.434 bonds (distance) P-C4' energy: -106.135 flat angles C4'-P-C4' energy: -141.334 flat angles P-C4'-P energy: -79.761 tors. eta vs tors. theta energy: -165.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1809.636727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.636727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.636727 (E_RNA) where: Base-Base interactions energy: -1255.283 where: short stacking energy: -481.425 Base-Backbone interact. energy: -0.508 local terms energy: -553.845776 where: bonds (distance) C4'-P energy: -106.563 bonds (distance) P-C4' energy: -108.170 flat angles C4'-P-C4' energy: -115.999 flat angles P-C4'-P energy: -79.185 tors. eta vs tors. theta energy: -143.929 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: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1636.028218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.028218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.028218 (E_RNA) where: Base-Base interactions energy: -1075.876 where: short stacking energy: -474.936 Base-Backbone interact. energy: 3.836 local terms energy: -563.987869 where: bonds (distance) C4'-P energy: -111.677 bonds (distance) P-C4' energy: -114.802 flat angles C4'-P-C4' energy: -110.777 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -146.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1588.706792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.706792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.706792 (E_RNA) where: Base-Base interactions energy: -1079.298 where: short stacking energy: -449.302 Base-Backbone interact. energy: 0.734 local terms energy: -510.142763 where: bonds (distance) C4'-P energy: -103.037 bonds (distance) P-C4' energy: -100.613 flat angles C4'-P-C4' energy: -112.581 flat angles P-C4'-P energy: -75.213 tors. eta vs tors. theta energy: -118.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1312.910746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.910746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.910746 (E_RNA) where: Base-Base interactions energy: -845.402 where: short stacking energy: -367.017 Base-Backbone interact. energy: -3.407 local terms energy: -464.102055 where: bonds (distance) C4'-P energy: -100.851 bonds (distance) P-C4' energy: -110.834 flat angles C4'-P-C4' energy: -109.316 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -76.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1049.241873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.241873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.241873 (E_RNA) where: Base-Base interactions energy: -654.148 where: short stacking energy: -296.377 Base-Backbone interact. energy: -1.385 local terms energy: -393.709318 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -105.932 flat angles C4'-P-C4' energy: -102.944 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -44.697 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: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -670.978214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.978214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.978214 (E_RNA) where: Base-Base interactions energy: -345.823 where: short stacking energy: -178.840 Base-Backbone interact. energy: -2.125 local terms energy: -323.029909 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -91.620 flat angles C4'-P-C4' energy: -71.555 flat angles P-C4'-P energy: -58.859 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -504.401918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.401918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.401918 (E_RNA) where: Base-Base interactions energy: -212.891 where: short stacking energy: -142.727 Base-Backbone interact. energy: -1.006 local terms energy: -290.505082 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -107.368 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -59.233 tors. eta vs tors. theta energy: 22.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2142.780229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.780229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.780229 (E_RNA) where: Base-Base interactions energy: -1490.813 where: short stacking energy: -632.388 Base-Backbone interact. energy: -1.733 local terms energy: -650.233367 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -92.769 tors. eta vs tors. theta energy: -187.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2043.667593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.667593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.667593 (E_RNA) where: Base-Base interactions energy: -1415.020 where: short stacking energy: -612.655 Base-Backbone interact. energy: -4.225 local terms energy: -624.423193 where: bonds (distance) C4'-P energy: -114.558 bonds (distance) P-C4' energy: -107.741 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -75.898 tors. eta vs tors. theta energy: -182.354 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: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1897.396033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.396033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.396033 (E_RNA) where: Base-Base interactions energy: -1279.643 where: short stacking energy: -575.765 Base-Backbone interact. energy: 3.585 local terms energy: -621.337491 where: bonds (distance) C4'-P energy: -116.915 bonds (distance) P-C4' energy: -126.397 flat angles C4'-P-C4' energy: -123.667 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -169.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1813.935460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.935460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.935460 (E_RNA) where: Base-Base interactions energy: -1260.670 where: short stacking energy: -513.178 Base-Backbone interact. energy: 0.520 local terms energy: -553.785842 where: bonds (distance) C4'-P energy: -115.455 bonds (distance) P-C4' energy: -123.813 flat angles C4'-P-C4' energy: -110.150 flat angles P-C4'-P energy: -73.473 tors. eta vs tors. theta energy: -130.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1638.484304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.484304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.484304 (E_RNA) where: Base-Base interactions energy: -1099.280 where: short stacking energy: -474.485 Base-Backbone interact. energy: -4.286 local terms energy: -534.918275 where: bonds (distance) C4'-P energy: -98.843 bonds (distance) P-C4' energy: -102.273 flat angles C4'-P-C4' energy: -115.089 flat angles P-C4'-P energy: -77.571 tors. eta vs tors. theta energy: -141.143 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: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1571.235475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.235475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.235475 (E_RNA) where: Base-Base interactions energy: -1055.899 where: short stacking energy: -429.541 Base-Backbone interact. energy: -3.484 local terms energy: -511.852858 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -113.004 flat angles C4'-P-C4' energy: -111.637 flat angles P-C4'-P energy: -65.121 tors. eta vs tors. theta energy: -114.506 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: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1349.051252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.051252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.051252 (E_RNA) where: Base-Base interactions energy: -896.754 where: short stacking energy: -393.748 Base-Backbone interact. energy: -3.703 local terms energy: -448.594527 where: bonds (distance) C4'-P energy: -108.217 bonds (distance) P-C4' energy: -93.768 flat angles C4'-P-C4' energy: -105.417 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -91.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1002.207863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.207863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.207863 (E_RNA) where: Base-Base interactions energy: -605.994 where: short stacking energy: -293.026 Base-Backbone interact. energy: -0.845 local terms energy: -395.368464 where: bonds (distance) C4'-P energy: -92.104 bonds (distance) P-C4' energy: -101.640 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -55.838 tors. eta vs tors. theta energy: -48.443 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: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -693.076825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.076825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.076825 (E_RNA) where: Base-Base interactions energy: -381.087 where: short stacking energy: -223.512 Base-Backbone interact. energy: -0.924 local terms energy: -311.066355 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -100.810 flat angles C4'-P-C4' energy: -91.500 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: 1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -521.449769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.449769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.449769 (E_RNA) where: Base-Base interactions energy: -211.086 where: short stacking energy: -173.435 Base-Backbone interact. energy: -1.825 local terms energy: -308.537974 where: bonds (distance) C4'-P energy: -80.396 bonds (distance) P-C4' energy: -104.899 flat angles C4'-P-C4' energy: -57.361 flat angles P-C4'-P energy: -54.835 tors. eta vs tors. theta energy: -11.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2130.873784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.873784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.873784 (E_RNA) where: Base-Base interactions energy: -1493.915 where: short stacking energy: -616.277 Base-Backbone interact. energy: -4.431 local terms energy: -632.528103 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -125.338 flat angles C4'-P-C4' energy: -124.049 flat angles P-C4'-P energy: -87.528 tors. eta vs tors. theta energy: -181.798 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2027.713609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.713609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.713609 (E_RNA) where: Base-Base interactions energy: -1390.430 where: short stacking energy: -569.583 Base-Backbone interact. energy: -1.131 local terms energy: -636.153343 where: bonds (distance) C4'-P energy: -105.849 bonds (distance) P-C4' energy: -109.907 flat angles C4'-P-C4' energy: -142.398 flat angles P-C4'-P energy: -99.448 tors. eta vs tors. theta energy: -178.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1910.831480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.831480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.831480 (E_RNA) where: Base-Base interactions energy: -1299.006 where: short stacking energy: -566.400 Base-Backbone interact. energy: -2.310 local terms energy: -609.515365 where: bonds (distance) C4'-P energy: -121.320 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -125.877 flat angles P-C4'-P energy: -78.828 tors. eta vs tors. theta energy: -171.403 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: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1786.998601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.998601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.998601 (E_RNA) where: Base-Base interactions energy: -1227.996 where: short stacking energy: -502.853 Base-Backbone interact. energy: 0.908 local terms energy: -559.910189 where: bonds (distance) C4'-P energy: -101.505 bonds (distance) P-C4' energy: -113.490 flat angles C4'-P-C4' energy: -117.851 flat angles P-C4'-P energy: -81.751 tors. eta vs tors. theta energy: -145.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1672.936633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.936633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.936633 (E_RNA) where: Base-Base interactions energy: -1124.756 where: short stacking energy: -502.291 Base-Backbone interact. energy: -1.140 local terms energy: -547.041119 where: bonds (distance) C4'-P energy: -100.263 bonds (distance) P-C4' energy: -107.300 flat angles C4'-P-C4' energy: -110.697 flat angles P-C4'-P energy: -85.227 tors. eta vs tors. theta energy: -143.554 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: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1544.222495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.222495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.222495 (E_RNA) where: Base-Base interactions energy: -1023.947 where: short stacking energy: -456.402 Base-Backbone interact. energy: 1.311 local terms energy: -521.586039 where: bonds (distance) C4'-P energy: -98.710 bonds (distance) P-C4' energy: -125.064 flat angles C4'-P-C4' energy: -113.644 flat angles P-C4'-P energy: -74.313 tors. eta vs tors. theta energy: -109.855 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: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1342.421417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.421417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.421417 (E_RNA) where: Base-Base interactions energy: -862.852 where: short stacking energy: -386.034 Base-Backbone interact. energy: -4.689 local terms energy: -474.880714 where: bonds (distance) C4'-P energy: -99.240 bonds (distance) P-C4' energy: -111.959 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -89.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1088.405953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.405953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.405953 (E_RNA) where: Base-Base interactions energy: -662.174 where: short stacking energy: -303.600 Base-Backbone interact. energy: 4.115 local terms energy: -430.347299 where: bonds (distance) C4'-P energy: -105.885 bonds (distance) P-C4' energy: -103.921 flat angles C4'-P-C4' energy: -108.399 flat angles P-C4'-P energy: -65.168 tors. eta vs tors. theta energy: -46.973 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: 314 Temperature: 1.300000 Total energy: -706.121500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.121500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.121500 (E_RNA) where: Base-Base interactions energy: -375.527 where: short stacking energy: -188.317 Base-Backbone interact. energy: 1.763 local terms energy: -332.357315 where: bonds (distance) C4'-P energy: -99.511 bonds (distance) P-C4' energy: -97.197 flat angles C4'-P-C4' energy: -91.398 flat angles P-C4'-P energy: -45.600 tors. eta vs tors. theta energy: 1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -505.418030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.418030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.418030 (E_RNA) where: Base-Base interactions energy: -165.481 where: short stacking energy: -120.033 Base-Backbone interact. energy: -0.180 local terms energy: -339.757297 where: bonds (distance) C4'-P energy: -90.609 bonds (distance) P-C4' energy: -115.562 flat angles C4'-P-C4' energy: -80.363 flat angles P-C4'-P energy: -66.825 tors. eta vs tors. theta energy: 13.602 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: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2116.801417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.801417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.801417 (E_RNA) where: Base-Base interactions energy: -1484.244 where: short stacking energy: -603.363 Base-Backbone interact. energy: -3.233 local terms energy: -629.323889 where: bonds (distance) C4'-P energy: -114.435 bonds (distance) P-C4' energy: -104.954 flat angles C4'-P-C4' energy: -141.321 flat angles P-C4'-P energy: -89.046 tors. eta vs tors. theta energy: -179.568 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: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2029.758209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.758209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.758209 (E_RNA) where: Base-Base interactions energy: -1409.055 where: short stacking energy: -585.105 Base-Backbone interact. energy: -3.086 local terms energy: -617.616902 where: bonds (distance) C4'-P energy: -108.142 bonds (distance) P-C4' energy: -108.911 flat angles C4'-P-C4' energy: -139.521 flat angles P-C4'-P energy: -83.178 tors. eta vs tors. theta energy: -177.866 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: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1921.372510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.372510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.372510 (E_RNA) where: Base-Base interactions energy: -1296.479 where: short stacking energy: -555.556 Base-Backbone interact. energy: -0.351 local terms energy: -624.542259 where: bonds (distance) C4'-P energy: -117.165 bonds (distance) P-C4' energy: -118.417 flat angles C4'-P-C4' energy: -129.572 flat angles P-C4'-P energy: -92.244 tors. eta vs tors. theta energy: -167.144 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1762.314011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.314011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.314011 (E_RNA) where: Base-Base interactions energy: -1213.051 where: short stacking energy: -512.767 Base-Backbone interact. energy: 0.122 local terms energy: -549.385350 where: bonds (distance) C4'-P energy: -96.955 bonds (distance) P-C4' energy: -108.693 flat angles C4'-P-C4' energy: -121.120 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -141.379 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: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1638.399377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.399377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.399377 (E_RNA) where: Base-Base interactions energy: -1113.398 where: short stacking energy: -485.223 Base-Backbone interact. energy: -1.443 local terms energy: -523.558198 where: bonds (distance) C4'-P energy: -104.428 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -116.337 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -128.221 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: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1485.276905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.276905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.276905 (E_RNA) where: Base-Base interactions energy: -997.514 where: short stacking energy: -435.612 Base-Backbone interact. energy: -2.143 local terms energy: -485.620656 where: bonds (distance) C4'-P energy: -98.854 bonds (distance) P-C4' energy: -81.003 flat angles C4'-P-C4' energy: -117.379 flat angles P-C4'-P energy: -68.757 tors. eta vs tors. theta energy: -119.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1450.611058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.611058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.611058 (E_RNA) where: Base-Base interactions energy: -959.605 where: short stacking energy: -387.519 Base-Backbone interact. energy: -0.580 local terms energy: -490.426417 where: bonds (distance) C4'-P energy: -94.600 bonds (distance) P-C4' energy: -106.947 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: -111.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1070.354851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.354851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.354851 (E_RNA) where: Base-Base interactions energy: -649.001 where: short stacking energy: -294.456 Base-Backbone interact. energy: -0.836 local terms energy: -420.517932 where: bonds (distance) C4'-P energy: -98.521 bonds (distance) P-C4' energy: -87.772 flat angles C4'-P-C4' energy: -107.471 flat angles P-C4'-P energy: -59.422 tors. eta vs tors. theta energy: -67.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -670.247947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.247947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.247947 (E_RNA) where: Base-Base interactions energy: -332.031 where: short stacking energy: -183.072 Base-Backbone interact. energy: -2.058 local terms energy: -336.158618 where: bonds (distance) C4'-P energy: -84.060 bonds (distance) P-C4' energy: -105.346 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -63.013 tors. eta vs tors. theta energy: 2.788 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -513.193925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.193925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.193925 (E_RNA) where: Base-Base interactions energy: -189.183 where: short stacking energy: -109.085 Base-Backbone interact. energy: -2.784 local terms energy: -321.227669 where: bonds (distance) C4'-P energy: -103.700 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -63.219 tors. eta vs tors. theta energy: 20.918 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: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2124.665233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.665233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.665233 (E_RNA) where: Base-Base interactions energy: -1497.245 where: short stacking energy: -612.600 Base-Backbone interact. energy: -0.682 local terms energy: -626.738426 where: bonds (distance) C4'-P energy: -112.114 bonds (distance) P-C4' energy: -118.242 flat angles C4'-P-C4' energy: -130.967 flat angles P-C4'-P energy: -87.235 tors. eta vs tors. theta energy: -178.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2010.865180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.865180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.865180 (E_RNA) where: Base-Base interactions energy: -1382.040 where: short stacking energy: -584.269 Base-Backbone interact. energy: -1.408 local terms energy: -627.417313 where: bonds (distance) C4'-P energy: -111.185 bonds (distance) P-C4' energy: -133.384 flat angles C4'-P-C4' energy: -132.354 flat angles P-C4'-P energy: -76.240 tors. eta vs tors. theta energy: -174.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1925.299153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.299153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.299153 (E_RNA) where: Base-Base interactions energy: -1298.023 where: short stacking energy: -549.713 Base-Backbone interact. energy: -4.054 local terms energy: -623.222051 where: bonds (distance) C4'-P energy: -108.918 bonds (distance) P-C4' energy: -112.153 flat angles C4'-P-C4' energy: -129.615 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -172.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1774.169655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.169655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.169655 (E_RNA) where: Base-Base interactions energy: -1214.643 where: short stacking energy: -508.935 Base-Backbone interact. energy: -3.043 local terms energy: -556.482771 where: bonds (distance) C4'-P energy: -111.964 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -107.746 flat angles P-C4'-P energy: -77.694 tors. eta vs tors. theta energy: -140.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1652.586167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.586167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.586167 (E_RNA) where: Base-Base interactions energy: -1122.759 where: short stacking energy: -500.854 Base-Backbone interact. energy: 0.370 local terms energy: -530.197382 where: bonds (distance) C4'-P energy: -83.219 bonds (distance) P-C4' energy: -105.657 flat angles C4'-P-C4' energy: -119.716 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -141.143 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: 316 Temperature: 1.150000 Total energy: -1433.168762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.168762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.168762 (E_RNA) where: Base-Base interactions energy: -951.834 where: short stacking energy: -431.423 Base-Backbone interact. energy: -0.624 local terms energy: -480.711447 where: bonds (distance) C4'-P energy: -88.046 bonds (distance) P-C4' energy: -107.380 flat angles C4'-P-C4' energy: -116.952 flat angles P-C4'-P energy: -74.985 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: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1451.606604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.606604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.606604 (E_RNA) where: Base-Base interactions energy: -968.694 where: short stacking energy: -423.318 Base-Backbone interact. energy: 0.803 local terms energy: -483.714918 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -97.508 flat angles C4'-P-C4' energy: -106.616 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -112.004 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: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1014.717091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.717091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.717091 (E_RNA) where: Base-Base interactions energy: -652.389 where: short stacking energy: -307.363 Base-Backbone interact. energy: 8.089 local terms energy: -370.416206 where: bonds (distance) C4'-P energy: -73.432 bonds (distance) P-C4' energy: -92.285 flat angles C4'-P-C4' energy: -90.425 flat angles P-C4'-P energy: -70.163 tors. eta vs tors. theta energy: -44.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -687.509380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.509380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.509380 (E_RNA) where: Base-Base interactions energy: -335.107 where: short stacking energy: -196.676 Base-Backbone interact. energy: -2.722 local terms energy: -349.679988 where: bonds (distance) C4'-P energy: -108.141 bonds (distance) P-C4' energy: -97.169 flat angles C4'-P-C4' energy: -83.138 flat angles P-C4'-P energy: -56.071 tors. eta vs tors. theta energy: -5.162 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: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -499.144050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.144050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.144050 (E_RNA) where: Base-Base interactions energy: -204.288 where: short stacking energy: -141.762 Base-Backbone interact. energy: -0.109 local terms energy: -294.747338 where: bonds (distance) C4'-P energy: -113.036 bonds (distance) P-C4' energy: -102.729 flat angles C4'-P-C4' energy: -64.257 flat angles P-C4'-P energy: -28.487 tors. eta vs tors. theta energy: 13.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2130.892708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.892708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.892708 (E_RNA) where: Base-Base interactions energy: -1468.936 where: short stacking energy: -608.419 Base-Backbone interact. energy: -1.924 local terms energy: -660.033099 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -133.025 flat angles C4'-P-C4' energy: -135.330 flat angles P-C4'-P energy: -83.669 tors. eta vs tors. theta energy: -184.408 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: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2037.504823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.504823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.504823 (E_RNA) where: Base-Base interactions energy: -1402.647 where: short stacking energy: -591.658 Base-Backbone interact. energy: -2.593 local terms energy: -632.264828 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -123.960 flat angles C4'-P-C4' energy: -140.259 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -183.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1923.673520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.673520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.673520 (E_RNA) where: Base-Base interactions energy: -1297.288 where: short stacking energy: -557.035 Base-Backbone interact. energy: -0.540 local terms energy: -625.845612 where: bonds (distance) C4'-P energy: -117.474 bonds (distance) P-C4' energy: -114.978 flat angles C4'-P-C4' energy: -134.921 flat angles P-C4'-P energy: -93.914 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: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1769.617964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.617964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.617964 (E_RNA) where: Base-Base interactions energy: -1194.134 where: short stacking energy: -508.515 Base-Backbone interact. energy: -3.126 local terms energy: -572.358608 where: bonds (distance) C4'-P energy: -105.852 bonds (distance) P-C4' energy: -115.896 flat angles C4'-P-C4' energy: -120.320 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: -155.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1681.307694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.307694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.307694 (E_RNA) where: Base-Base interactions energy: -1147.691 where: short stacking energy: -496.819 Base-Backbone interact. energy: -4.519 local terms energy: -529.098509 where: bonds (distance) C4'-P energy: -100.461 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -118.511 flat angles P-C4'-P energy: -74.805 tors. eta vs tors. theta energy: -141.743 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: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1523.220627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.220627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.220627 (E_RNA) where: Base-Base interactions energy: -988.803 where: short stacking energy: -462.553 Base-Backbone interact. energy: 0.273 local terms energy: -534.691237 where: bonds (distance) C4'-P energy: -103.330 bonds (distance) P-C4' energy: -108.844 flat angles C4'-P-C4' energy: -123.833 flat angles P-C4'-P energy: -73.556 tors. eta vs tors. theta energy: -125.128 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: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1388.678825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.678825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.678825 (E_RNA) where: Base-Base interactions energy: -899.665 where: short stacking energy: -410.680 Base-Backbone interact. energy: 3.158 local terms energy: -492.172666 where: bonds (distance) C4'-P energy: -86.898 bonds (distance) P-C4' energy: -128.325 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -72.750 tors. eta vs tors. theta energy: -97.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1058.194839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.194839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.194839 (E_RNA) where: Base-Base interactions energy: -674.289 where: short stacking energy: -289.504 Base-Backbone interact. energy: 2.404 local terms energy: -386.310005 where: bonds (distance) C4'-P energy: -96.207 bonds (distance) P-C4' energy: -84.845 flat angles C4'-P-C4' energy: -98.890 flat angles P-C4'-P energy: -71.025 tors. eta vs tors. theta energy: -35.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -679.809540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.809540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.809540 (E_RNA) where: Base-Base interactions energy: -337.544 where: short stacking energy: -205.755 Base-Backbone interact. energy: 0.030 local terms energy: -342.295238 where: bonds (distance) C4'-P energy: -102.063 bonds (distance) P-C4' energy: -97.241 flat angles C4'-P-C4' energy: -86.196 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -3.111 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: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -550.120963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.120963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.120963 (E_RNA) where: Base-Base interactions energy: -245.746 where: short stacking energy: -160.078 Base-Backbone interact. energy: 0.098 local terms energy: -304.472956 where: bonds (distance) C4'-P energy: -97.392 bonds (distance) P-C4' energy: -102.216 flat angles C4'-P-C4' energy: -88.830 flat angles P-C4'-P energy: -28.970 tors. eta vs tors. theta energy: 12.935 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: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2120.018063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.018063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.018063 (E_RNA) where: Base-Base interactions energy: -1478.285 where: short stacking energy: -644.103 Base-Backbone interact. energy: -1.723 local terms energy: -640.010924 where: bonds (distance) C4'-P energy: -116.126 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -130.544 flat angles P-C4'-P energy: -97.252 tors. eta vs tors. theta energy: -188.154 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: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2046.500387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.500387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.500387 (E_RNA) where: Base-Base interactions energy: -1406.117 where: short stacking energy: -590.452 Base-Backbone interact. energy: -2.526 local terms energy: -637.857436 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -86.120 tors. eta vs tors. theta energy: -185.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1913.816293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.816293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.816293 (E_RNA) where: Base-Base interactions energy: -1298.516 where: short stacking energy: -569.968 Base-Backbone interact. energy: -5.438 local terms energy: -609.862323 where: bonds (distance) C4'-P energy: -117.625 bonds (distance) P-C4' energy: -116.763 flat angles C4'-P-C4' energy: -126.613 flat angles P-C4'-P energy: -86.675 tors. eta vs tors. theta energy: -162.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1819.034198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.034198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.034198 (E_RNA) where: Base-Base interactions energy: -1238.565 where: short stacking energy: -514.969 Base-Backbone interact. energy: -1.524 local terms energy: -578.945093 where: bonds (distance) C4'-P energy: -117.961 bonds (distance) P-C4' energy: -102.971 flat angles C4'-P-C4' energy: -117.386 flat angles P-C4'-P energy: -93.368 tors. eta vs tors. theta energy: -147.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1649.944561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.944561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.944561 (E_RNA) where: Base-Base interactions energy: -1084.961 where: short stacking energy: -477.050 Base-Backbone interact. energy: -2.601 local terms energy: -562.383045 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -116.098 flat angles C4'-P-C4' energy: -124.236 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -139.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1547.223575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.223575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.223575 (E_RNA) where: Base-Base interactions energy: -1043.514 where: short stacking energy: -455.314 Base-Backbone interact. energy: 1.250 local terms energy: -504.960437 where: bonds (distance) C4'-P energy: -91.375 bonds (distance) P-C4' energy: -113.546 flat angles C4'-P-C4' energy: -109.714 flat angles P-C4'-P energy: -75.137 tors. eta vs tors. theta energy: -115.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1387.720215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.720215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.720215 (E_RNA) where: Base-Base interactions energy: -908.387 where: short stacking energy: -392.735 Base-Backbone interact. energy: -2.367 local terms energy: -476.966097 where: bonds (distance) C4'-P energy: -96.003 bonds (distance) P-C4' energy: -91.780 flat angles C4'-P-C4' energy: -113.942 flat angles P-C4'-P energy: -80.454 tors. eta vs tors. theta energy: -94.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1095.732205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.732205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.732205 (E_RNA) where: Base-Base interactions energy: -686.422 where: short stacking energy: -325.608 Base-Backbone interact. energy: -0.224 local terms energy: -409.086256 where: bonds (distance) C4'-P energy: -101.743 bonds (distance) P-C4' energy: -99.903 flat angles C4'-P-C4' energy: -79.210 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -69.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -705.464180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.464180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.464180 (E_RNA) where: Base-Base interactions energy: -383.293 where: short stacking energy: -197.060 Base-Backbone interact. energy: 0.386 local terms energy: -322.556997 where: bonds (distance) C4'-P energy: -69.635 bonds (distance) P-C4' energy: -109.063 flat angles C4'-P-C4' energy: -82.980 flat angles P-C4'-P energy: -51.867 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -504.860477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.860477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.860477 (E_RNA) where: Base-Base interactions energy: -217.615 where: short stacking energy: -147.338 Base-Backbone interact. energy: 2.385 local terms energy: -289.631279 where: bonds (distance) C4'-P energy: -95.400 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -30.405 tors. eta vs tors. theta energy: 19.419 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: 1, replica: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2114.329039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.329039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.329039 (E_RNA) where: Base-Base interactions energy: -1484.225 where: short stacking energy: -626.773 Base-Backbone interact. energy: 0.495 local terms energy: -630.598895 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -120.980 flat angles C4'-P-C4' energy: -138.391 flat angles P-C4'-P energy: -85.462 tors. eta vs tors. theta energy: -167.612 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: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2028.992304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.992304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.992304 (E_RNA) where: Base-Base interactions energy: -1409.306 where: short stacking energy: -593.348 Base-Backbone interact. energy: -3.212 local terms energy: -616.474344 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -117.994 flat angles C4'-P-C4' energy: -131.774 flat angles P-C4'-P energy: -84.391 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: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1915.181063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.181063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.181063 (E_RNA) where: Base-Base interactions energy: -1287.663 where: short stacking energy: -550.287 Base-Backbone interact. energy: -3.610 local terms energy: -623.908234 where: bonds (distance) C4'-P energy: -117.948 bonds (distance) P-C4' energy: -120.968 flat angles C4'-P-C4' energy: -125.183 flat angles P-C4'-P energy: -91.082 tors. eta vs tors. theta energy: -168.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1787.479078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.479078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.479078 (E_RNA) where: Base-Base interactions energy: -1247.728 where: short stacking energy: -526.376 Base-Backbone interact. energy: -1.893 local terms energy: -537.858880 where: bonds (distance) C4'-P energy: -97.661 bonds (distance) P-C4' energy: -108.984 flat angles C4'-P-C4' energy: -107.940 flat angles P-C4'-P energy: -70.627 tors. eta vs tors. theta energy: -152.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1639.399369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.399369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.399369 (E_RNA) where: Base-Base interactions energy: -1115.667 where: short stacking energy: -459.926 Base-Backbone interact. energy: -1.650 local terms energy: -522.082232 where: bonds (distance) C4'-P energy: -104.801 bonds (distance) P-C4' energy: -94.669 flat angles C4'-P-C4' energy: -122.646 flat angles P-C4'-P energy: -77.911 tors. eta vs tors. theta energy: -122.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1529.300773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.300773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.300773 (E_RNA) where: Base-Base interactions energy: -1013.134 where: short stacking energy: -467.362 Base-Backbone interact. energy: -2.356 local terms energy: -513.810519 where: bonds (distance) C4'-P energy: -99.682 bonds (distance) P-C4' energy: -102.912 flat angles C4'-P-C4' energy: -107.149 flat angles P-C4'-P energy: -81.476 tors. eta vs tors. theta energy: -122.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1356.055824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.055824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.055824 (E_RNA) where: Base-Base interactions energy: -900.463 where: short stacking energy: -391.449 Base-Backbone interact. energy: -2.733 local terms energy: -452.859280 where: bonds (distance) C4'-P energy: -100.484 bonds (distance) P-C4' energy: -106.675 flat angles C4'-P-C4' energy: -95.569 flat angles P-C4'-P energy: -71.624 tors. eta vs tors. theta energy: -78.506 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: 319 Temperature: 1.250000 Total energy: -1023.651603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.651603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.651603 (E_RNA) where: Base-Base interactions energy: -654.618 where: short stacking energy: -312.983 Base-Backbone interact. energy: -0.709 local terms energy: -368.324466 where: bonds (distance) C4'-P energy: -83.436 bonds (distance) P-C4' energy: -103.854 flat angles C4'-P-C4' energy: -78.715 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: -40.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -740.119250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.119250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.119250 (E_RNA) where: Base-Base interactions energy: -397.500 where: short stacking energy: -197.712 Base-Backbone interact. energy: -0.241 local terms energy: -342.378127 where: bonds (distance) C4'-P energy: -103.263 bonds (distance) P-C4' energy: -94.325 flat angles C4'-P-C4' energy: -95.549 flat angles P-C4'-P energy: -52.342 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: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -466.010873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.010873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.010873 (E_RNA) where: Base-Base interactions energy: -146.313 where: short stacking energy: -117.661 Base-Backbone interact. energy: 1.705 local terms energy: -321.403538 where: bonds (distance) C4'-P energy: -94.480 bonds (distance) P-C4' energy: -96.949 flat angles C4'-P-C4' energy: -81.828 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: 18.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2103.056936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.056936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.056936 (E_RNA) where: Base-Base interactions energy: -1443.629 where: short stacking energy: -625.944 Base-Backbone interact. energy: -1.161 local terms energy: -658.266762 where: bonds (distance) C4'-P energy: -120.227 bonds (distance) P-C4' energy: -118.733 flat angles C4'-P-C4' energy: -141.924 flat angles P-C4'-P energy: -91.813 tors. eta vs tors. theta energy: -185.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2049.419955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.419955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.419955 (E_RNA) where: Base-Base interactions energy: -1419.594 where: short stacking energy: -601.323 Base-Backbone interact. energy: -2.361 local terms energy: -627.465543 where: bonds (distance) C4'-P energy: -122.542 bonds (distance) P-C4' energy: -106.024 flat angles C4'-P-C4' energy: -130.298 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -177.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1921.993636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.993636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.993636 (E_RNA) where: Base-Base interactions energy: -1296.299 where: short stacking energy: -556.319 Base-Backbone interact. energy: -2.446 local terms energy: -623.248628 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -143.418 flat angles P-C4'-P energy: -74.658 tors. eta vs tors. theta energy: -173.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1780.346279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.346279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.346279 (E_RNA) where: Base-Base interactions energy: -1242.093 where: short stacking energy: -522.008 Base-Backbone interact. energy: -0.485 local terms energy: -537.768207 where: bonds (distance) C4'-P energy: -98.557 bonds (distance) P-C4' energy: -101.085 flat angles C4'-P-C4' energy: -117.414 flat angles P-C4'-P energy: -78.275 tors. eta vs tors. theta energy: -142.438 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: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1709.621052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.621052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.621052 (E_RNA) where: Base-Base interactions energy: -1175.209 where: short stacking energy: -511.653 Base-Backbone interact. energy: -2.440 local terms energy: -531.971926 where: bonds (distance) C4'-P energy: -99.441 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -121.884 flat angles P-C4'-P energy: -70.042 tors. eta vs tors. theta energy: -136.419 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: 320 Temperature: 1.150000 Total energy: -1492.100205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.100205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.100205 (E_RNA) where: Base-Base interactions energy: -994.409 where: short stacking energy: -459.966 Base-Backbone interact. energy: 6.693 local terms energy: -504.384831 where: bonds (distance) C4'-P energy: -89.443 bonds (distance) P-C4' energy: -111.961 flat angles C4'-P-C4' energy: -118.036 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -110.158 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: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1340.584558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.584558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.584558 (E_RNA) where: Base-Base interactions energy: -874.875 where: short stacking energy: -367.576 Base-Backbone interact. energy: 1.066 local terms energy: -466.775218 where: bonds (distance) C4'-P energy: -94.839 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -105.042 flat angles P-C4'-P energy: -61.440 tors. eta vs tors. theta energy: -87.212 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: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1055.216991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.216991 (E_RNA) where: Base-Base interactions energy: -644.173 where: short stacking energy: -289.659 Base-Backbone interact. energy: 1.513 local terms energy: -412.556651 where: bonds (distance) C4'-P energy: -99.657 bonds (distance) P-C4' energy: -105.025 flat angles C4'-P-C4' energy: -102.130 flat angles P-C4'-P energy: -62.719 tors. eta vs tors. theta energy: -43.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -788.214964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.214964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.214964 (E_RNA) where: Base-Base interactions energy: -416.639 where: short stacking energy: -229.138 Base-Backbone interact. energy: -0.431 local terms energy: -371.144454 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -96.107 flat angles C4'-P-C4' energy: -84.877 flat angles P-C4'-P energy: -67.381 tors. eta vs tors. theta energy: -11.985 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: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -483.688760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.688760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.688760 (E_RNA) where: Base-Base interactions energy: -190.888 where: short stacking energy: -132.418 Base-Backbone interact. energy: -1.114 local terms energy: -291.686944 where: bonds (distance) C4'-P energy: -88.194 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -91.533 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: 19.034 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: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2083.135448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.135448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.135448 (E_RNA) where: Base-Base interactions energy: -1439.051 where: short stacking energy: -602.729 Base-Backbone interact. energy: -2.442 local terms energy: -641.642335 where: bonds (distance) C4'-P energy: -109.008 bonds (distance) P-C4' energy: -123.974 flat angles C4'-P-C4' energy: -135.255 flat angles P-C4'-P energy: -93.997 tors. eta vs tors. theta energy: -179.408 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: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2089.990554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.990554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.990554 (E_RNA) where: Base-Base interactions energy: -1445.894 where: short stacking energy: -624.514 Base-Backbone interact. energy: -2.193 local terms energy: -641.903518 where: bonds (distance) C4'-P energy: -119.562 bonds (distance) P-C4' energy: -125.139 flat angles C4'-P-C4' energy: -136.576 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -174.271 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: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1857.662177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.662177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.662177 (E_RNA) where: Base-Base interactions energy: -1300.106 where: short stacking energy: -541.366 Base-Backbone interact. energy: -2.319 local terms energy: -555.237234 where: bonds (distance) C4'-P energy: -91.696 bonds (distance) P-C4' energy: -101.704 flat angles C4'-P-C4' energy: -129.012 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -157.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1800.320592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.320592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.320592 (E_RNA) where: Base-Base interactions energy: -1236.866 where: short stacking energy: -497.805 Base-Backbone interact. energy: 0.174 local terms energy: -563.628553 where: bonds (distance) C4'-P energy: -114.683 bonds (distance) P-C4' energy: -107.677 flat angles C4'-P-C4' energy: -134.059 flat angles P-C4'-P energy: -66.400 tors. eta vs tors. theta energy: -140.810 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: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1692.570523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.570523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.570523 (E_RNA) where: Base-Base interactions energy: -1160.251 where: short stacking energy: -494.464 Base-Backbone interact. energy: -2.335 local terms energy: -529.984887 where: bonds (distance) C4'-P energy: -102.658 bonds (distance) P-C4' energy: -97.886 flat angles C4'-P-C4' energy: -122.849 flat angles P-C4'-P energy: -67.748 tors. eta vs tors. theta energy: -138.843 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: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1530.794243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.794243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.794243 (E_RNA) where: Base-Base interactions energy: -1029.658 where: short stacking energy: -457.600 Base-Backbone interact. energy: -0.204 local terms energy: -500.932030 where: bonds (distance) C4'-P energy: -96.994 bonds (distance) P-C4' energy: -97.768 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -124.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1277.571402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.571402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.571402 (E_RNA) where: Base-Base interactions energy: -840.028 where: short stacking energy: -370.505 Base-Backbone interact. energy: -1.422 local terms energy: -436.122238 where: bonds (distance) C4'-P energy: -92.342 bonds (distance) P-C4' energy: -95.560 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: -81.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1059.265065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.265065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.265065 (E_RNA) where: Base-Base interactions energy: -648.662 where: short stacking energy: -311.199 Base-Backbone interact. energy: -0.636 local terms energy: -409.967528 where: bonds (distance) C4'-P energy: -96.055 bonds (distance) P-C4' energy: -102.048 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -64.030 tors. eta vs tors. theta energy: -51.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -742.238725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.238725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.238725 (E_RNA) where: Base-Base interactions energy: -415.986 where: short stacking energy: -211.557 Base-Backbone interact. energy: -1.218 local terms energy: -325.034967 where: bonds (distance) C4'-P energy: -83.278 bonds (distance) P-C4' energy: -86.528 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -48.950 tors. eta vs tors. theta energy: -9.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -496.975515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.975515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.975515 (E_RNA) where: Base-Base interactions energy: -188.551 where: short stacking energy: -114.513 Base-Backbone interact. energy: 4.937 local terms energy: -313.361907 where: bonds (distance) C4'-P energy: -92.432 bonds (distance) P-C4' energy: -100.965 flat angles C4'-P-C4' energy: -79.507 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: 25.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2088.417678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.417678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.417678 (E_RNA) where: Base-Base interactions energy: -1446.870 where: short stacking energy: -623.908 Base-Backbone interact. energy: -2.002 local terms energy: -639.545597 where: bonds (distance) C4'-P energy: -107.573 bonds (distance) P-C4' energy: -126.464 flat angles C4'-P-C4' energy: -136.726 flat angles P-C4'-P energy: -80.735 tors. eta vs tors. theta energy: -188.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2041.750704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.750704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.750704 (E_RNA) where: Base-Base interactions energy: -1416.954 where: short stacking energy: -572.760 Base-Backbone interact. energy: 6.321 local terms energy: -631.117996 where: bonds (distance) C4'-P energy: -91.623 bonds (distance) P-C4' energy: -124.136 flat angles C4'-P-C4' energy: -139.207 flat angles P-C4'-P energy: -96.333 tors. eta vs tors. theta energy: -179.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1894.499021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.499021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.499021 (E_RNA) where: Base-Base interactions energy: -1289.927 where: short stacking energy: -565.104 Base-Backbone interact. energy: -0.660 local terms energy: -603.912088 where: bonds (distance) C4'-P energy: -105.747 bonds (distance) P-C4' energy: -120.025 flat angles C4'-P-C4' energy: -123.386 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -163.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1785.351777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.351777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.351777 (E_RNA) where: Base-Base interactions energy: -1216.665 where: short stacking energy: -492.967 Base-Backbone interact. energy: -1.043 local terms energy: -567.643507 where: bonds (distance) C4'-P energy: -114.743 bonds (distance) P-C4' energy: -115.339 flat angles C4'-P-C4' energy: -128.932 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: -144.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1759.609603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.609603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.609603 (E_RNA) where: Base-Base interactions energy: -1210.772 where: short stacking energy: -537.153 Base-Backbone interact. energy: -2.196 local terms energy: -546.641155 where: bonds (distance) C4'-P energy: -94.540 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -123.862 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -151.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1596.144656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.144656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.144656 (E_RNA) where: Base-Base interactions energy: -1074.120 where: short stacking energy: -462.965 Base-Backbone interact. energy: -1.114 local terms energy: -520.911329 where: bonds (distance) C4'-P energy: -99.486 bonds (distance) P-C4' energy: -95.677 flat angles C4'-P-C4' energy: -116.452 flat angles P-C4'-P energy: -84.347 tors. eta vs tors. theta energy: -124.949 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: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1207.734936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.734936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.734936 (E_RNA) where: Base-Base interactions energy: -775.637 where: short stacking energy: -338.174 Base-Backbone interact. energy: 1.816 local terms energy: -433.914340 where: bonds (distance) C4'-P energy: -98.220 bonds (distance) P-C4' energy: -105.205 flat angles C4'-P-C4' energy: -102.380 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -74.181 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: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1122.495609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.495609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.495609 (E_RNA) where: Base-Base interactions energy: -714.181 where: short stacking energy: -290.135 Base-Backbone interact. energy: 5.736 local terms energy: -414.050657 where: bonds (distance) C4'-P energy: -97.323 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -94.200 flat angles P-C4'-P energy: -65.445 tors. eta vs tors. theta energy: -61.722 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: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -699.534372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.534372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.534372 (E_RNA) where: Base-Base interactions energy: -385.062 where: short stacking energy: -169.056 Base-Backbone interact. energy: -2.253 local terms energy: -312.219093 where: bonds (distance) C4'-P energy: -97.305 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -78.152 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: 2.959 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: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -474.408629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.408629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.408629 (E_RNA) where: Base-Base interactions energy: -209.596 where: short stacking energy: -132.053 Base-Backbone interact. energy: -2.968 local terms energy: -261.844592 where: bonds (distance) C4'-P energy: -93.421 bonds (distance) P-C4' energy: -87.059 flat angles C4'-P-C4' energy: -78.711 flat angles P-C4'-P energy: -37.931 tors. eta vs tors. theta energy: 35.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2119.608483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.608483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.608483 (E_RNA) where: Base-Base interactions energy: -1475.022 where: short stacking energy: -615.592 Base-Backbone interact. energy: -1.004 local terms energy: -643.582729 where: bonds (distance) C4'-P energy: -123.747 bonds (distance) P-C4' energy: -114.576 flat angles C4'-P-C4' energy: -131.458 flat angles P-C4'-P energy: -86.233 tors. eta vs tors. theta energy: -187.569 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: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2018.817708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.817708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.817708 (E_RNA) where: Base-Base interactions energy: -1400.761 where: short stacking energy: -588.057 Base-Backbone interact. energy: -3.899 local terms energy: -614.158415 where: bonds (distance) C4'-P energy: -98.071 bonds (distance) P-C4' energy: -118.003 flat angles C4'-P-C4' energy: -134.542 flat angles P-C4'-P energy: -89.675 tors. eta vs tors. theta energy: -173.868 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: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1888.930408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.930408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.930408 (E_RNA) where: Base-Base interactions energy: -1308.113 where: short stacking energy: -541.427 Base-Backbone interact. energy: 0.377 local terms energy: -581.194479 where: bonds (distance) C4'-P energy: -97.329 bonds (distance) P-C4' energy: -112.278 flat angles C4'-P-C4' energy: -118.455 flat angles P-C4'-P energy: -90.205 tors. eta vs tors. theta energy: -162.927 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: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1874.778789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.778789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.778789 (E_RNA) where: Base-Base interactions energy: -1298.057 where: short stacking energy: -548.003 Base-Backbone interact. energy: -3.819 local terms energy: -572.902408 where: bonds (distance) C4'-P energy: -98.462 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -116.352 flat angles P-C4'-P energy: -92.168 tors. eta vs tors. theta energy: -163.115 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: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1694.346461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.346461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.346461 (E_RNA) where: Base-Base interactions energy: -1169.081 where: short stacking energy: -516.676 Base-Backbone interact. energy: 1.910 local terms energy: -527.175297 where: bonds (distance) C4'-P energy: -101.797 bonds (distance) P-C4' energy: -110.082 flat angles C4'-P-C4' energy: -117.580 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -125.338 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: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1498.290877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.290877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.290877 (E_RNA) where: Base-Base interactions energy: -983.427 where: short stacking energy: -447.762 Base-Backbone interact. energy: -0.927 local terms energy: -513.937181 where: bonds (distance) C4'-P energy: -101.694 bonds (distance) P-C4' energy: -112.831 flat angles C4'-P-C4' energy: -117.164 flat angles P-C4'-P energy: -66.510 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: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1305.697839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.697839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.697839 (E_RNA) where: Base-Base interactions energy: -832.362 where: short stacking energy: -398.510 Base-Backbone interact. energy: -2.846 local terms energy: -470.489149 where: bonds (distance) C4'-P energy: -81.478 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -105.444 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -103.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1093.056205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.056205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.056205 (E_RNA) where: Base-Base interactions energy: -686.739 where: short stacking energy: -303.698 Base-Backbone interact. energy: 2.115 local terms energy: -408.431853 where: bonds (distance) C4'-P energy: -97.839 bonds (distance) P-C4' energy: -109.306 flat angles C4'-P-C4' energy: -83.003 flat angles P-C4'-P energy: -61.895 tors. eta vs tors. theta energy: -56.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -796.265505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.265505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.265505 (E_RNA) where: Base-Base interactions energy: -456.851 where: short stacking energy: -229.208 Base-Backbone interact. energy: 9.491 local terms energy: -348.906232 where: bonds (distance) C4'-P energy: -90.720 bonds (distance) P-C4' energy: -99.172 flat angles C4'-P-C4' energy: -100.982 flat angles P-C4'-P energy: -37.206 tors. eta vs tors. theta energy: -20.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -444.448477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.448477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.448477 (E_RNA) where: Base-Base interactions energy: -151.267 where: short stacking energy: -124.660 Base-Backbone interact. energy: -0.695 local terms energy: -292.487064 where: bonds (distance) C4'-P energy: -95.611 bonds (distance) P-C4' energy: -85.407 flat angles C4'-P-C4' energy: -76.045 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: 16.629 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: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2115.856932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.856932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.856932 (E_RNA) where: Base-Base interactions energy: -1465.442 where: short stacking energy: -623.664 Base-Backbone interact. energy: -0.242 local terms energy: -650.172710 where: bonds (distance) C4'-P energy: -109.909 bonds (distance) P-C4' energy: -127.364 flat angles C4'-P-C4' energy: -139.773 flat angles P-C4'-P energy: -91.221 tors. eta vs tors. theta energy: -181.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2029.715769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.715769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.715769 (E_RNA) where: Base-Base interactions energy: -1384.180 where: short stacking energy: -592.846 Base-Backbone interact. energy: -3.902 local terms energy: -641.633625 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -118.847 flat angles C4'-P-C4' energy: -133.348 flat angles P-C4'-P energy: -93.151 tors. eta vs tors. theta energy: -180.651 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: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1932.469284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.469284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.469284 (E_RNA) where: Base-Base interactions energy: -1318.820 where: short stacking energy: -565.614 Base-Backbone interact. energy: 1.543 local terms energy: -615.192518 where: bonds (distance) C4'-P energy: -109.108 bonds (distance) P-C4' energy: -113.265 flat angles C4'-P-C4' energy: -120.171 flat angles P-C4'-P energy: -91.477 tors. eta vs tors. theta energy: -181.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1819.700960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.700960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.700960 (E_RNA) where: Base-Base interactions energy: -1260.180 where: short stacking energy: -513.948 Base-Backbone interact. energy: -3.198 local terms energy: -556.323054 where: bonds (distance) C4'-P energy: -108.306 bonds (distance) P-C4' energy: -103.016 flat angles C4'-P-C4' energy: -117.155 flat angles P-C4'-P energy: -71.916 tors. eta vs tors. theta energy: -155.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1695.809980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.809980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.809980 (E_RNA) where: Base-Base interactions energy: -1165.567 where: short stacking energy: -505.313 Base-Backbone interact. energy: -2.351 local terms energy: -527.892691 where: bonds (distance) C4'-P energy: -93.898 bonds (distance) P-C4' energy: -92.190 flat angles C4'-P-C4' energy: -126.025 flat angles P-C4'-P energy: -80.713 tors. eta vs tors. theta energy: -135.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1521.457824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.457824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.457824 (E_RNA) where: Base-Base interactions energy: -991.665 where: short stacking energy: -442.477 Base-Backbone interact. energy: -1.445 local terms energy: -528.347594 where: bonds (distance) C4'-P energy: -109.289 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -122.913 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -117.185 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: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1299.436874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.436874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.436874 (E_RNA) where: Base-Base interactions energy: -848.138 where: short stacking energy: -360.336 Base-Backbone interact. energy: -0.205 local terms energy: -451.094087 where: bonds (distance) C4'-P energy: -80.173 bonds (distance) P-C4' energy: -112.329 flat angles C4'-P-C4' energy: -112.380 flat angles P-C4'-P energy: -68.407 tors. eta vs tors. theta energy: -77.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1086.139413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.139413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.139413 (E_RNA) where: Base-Base interactions energy: -658.972 where: short stacking energy: -315.193 Base-Backbone interact. energy: 0.036 local terms energy: -427.203363 where: bonds (distance) C4'-P energy: -103.389 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -100.678 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -54.566 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: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -796.506985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.506985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.506985 (E_RNA) where: Base-Base interactions energy: -422.563 where: short stacking energy: -233.338 Base-Backbone interact. energy: -0.878 local terms energy: -373.066147 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -89.096 flat angles P-C4'-P energy: -47.041 tors. eta vs tors. theta energy: -33.021 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: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -469.764625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.764625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.764625 (E_RNA) where: Base-Base interactions energy: -171.024 where: short stacking energy: -124.085 Base-Backbone interact. energy: 2.117 local terms energy: -300.856964 where: bonds (distance) C4'-P energy: -95.678 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: 16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2094.142525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.142525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.142525 (E_RNA) where: Base-Base interactions energy: -1461.389 where: short stacking energy: -610.239 Base-Backbone interact. energy: -1.760 local terms energy: -630.993163 where: bonds (distance) C4'-P energy: -111.125 bonds (distance) P-C4' energy: -121.354 flat angles C4'-P-C4' energy: -138.935 flat angles P-C4'-P energy: -85.533 tors. eta vs tors. theta energy: -174.046 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: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2013.934202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.934202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.934202 (E_RNA) where: Base-Base interactions energy: -1376.297 where: short stacking energy: -582.324 Base-Backbone interact. energy: -0.706 local terms energy: -636.931946 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -110.491 flat angles C4'-P-C4' energy: -129.692 flat angles P-C4'-P energy: -93.861 tors. eta vs tors. theta energy: -184.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1944.871185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.871185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.871185 (E_RNA) where: Base-Base interactions energy: -1330.232 where: short stacking energy: -570.344 Base-Backbone interact. energy: -1.226 local terms energy: -613.412928 where: bonds (distance) C4'-P energy: -113.414 bonds (distance) P-C4' energy: -115.346 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -82.454 tors. eta vs tors. theta energy: -168.682 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: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1822.755130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.755130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.755130 (E_RNA) where: Base-Base interactions energy: -1253.099 where: short stacking energy: -502.843 Base-Backbone interact. energy: -2.141 local terms energy: -567.515971 where: bonds (distance) C4'-P energy: -109.209 bonds (distance) P-C4' energy: -105.311 flat angles C4'-P-C4' energy: -123.806 flat angles P-C4'-P energy: -83.861 tors. eta vs tors. theta energy: -145.329 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: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1653.479604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.479604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.479604 (E_RNA) where: Base-Base interactions energy: -1115.022 where: short stacking energy: -500.638 Base-Backbone interact. energy: 0.048 local terms energy: -538.505344 where: bonds (distance) C4'-P energy: -93.329 bonds (distance) P-C4' energy: -104.645 flat angles C4'-P-C4' energy: -124.661 flat angles P-C4'-P energy: -77.936 tors. eta vs tors. theta energy: -137.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1545.430368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.430368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.430368 (E_RNA) where: Base-Base interactions energy: -1008.954 where: short stacking energy: -461.765 Base-Backbone interact. energy: -4.838 local terms energy: -531.638427 where: bonds (distance) C4'-P energy: -109.220 bonds (distance) P-C4' energy: -122.120 flat angles C4'-P-C4' energy: -122.772 flat angles P-C4'-P energy: -57.503 tors. eta vs tors. theta energy: -120.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1265.672313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.672313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.672313 (E_RNA) where: Base-Base interactions energy: -785.281 where: short stacking energy: -367.017 Base-Backbone interact. energy: 0.210 local terms energy: -480.600810 where: bonds (distance) C4'-P energy: -102.418 bonds (distance) P-C4' energy: -102.216 flat angles C4'-P-C4' energy: -107.303 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -96.705 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: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1092.286813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.286813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.286813 (E_RNA) where: Base-Base interactions energy: -683.467 where: short stacking energy: -307.355 Base-Backbone interact. energy: -2.935 local terms energy: -405.884948 where: bonds (distance) C4'-P energy: -97.047 bonds (distance) P-C4' energy: -96.482 flat angles C4'-P-C4' energy: -96.184 flat angles P-C4'-P energy: -46.646 tors. eta vs tors. theta energy: -69.526 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: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -808.201642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.201642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.201642 (E_RNA) where: Base-Base interactions energy: -437.390 where: short stacking energy: -209.973 Base-Backbone interact. energy: 2.650 local terms energy: -373.461823 where: bonds (distance) C4'-P energy: -81.837 bonds (distance) P-C4' energy: -111.641 flat angles C4'-P-C4' energy: -103.000 flat angles P-C4'-P energy: -55.194 tors. eta vs tors. theta energy: -21.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -461.892796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.892796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.892796 (E_RNA) where: Base-Base interactions energy: -172.626 where: short stacking energy: -126.308 Base-Backbone interact. energy: -3.918 local terms energy: -285.348405 where: bonds (distance) C4'-P energy: -87.511 bonds (distance) P-C4' energy: -92.361 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -39.509 tors. eta vs tors. theta energy: 28.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2115.922567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.922567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.922567 (E_RNA) where: Base-Base interactions energy: -1478.784 where: short stacking energy: -628.962 Base-Backbone interact. energy: -2.237 local terms energy: -634.901093 where: bonds (distance) C4'-P energy: -121.627 bonds (distance) P-C4' energy: -109.023 flat angles C4'-P-C4' energy: -137.569 flat angles P-C4'-P energy: -88.898 tors. eta vs tors. theta energy: -177.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1999.400259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.400259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.400259 (E_RNA) where: Base-Base interactions energy: -1384.815 where: short stacking energy: -585.947 Base-Backbone interact. energy: 0.782 local terms energy: -615.368041 where: bonds (distance) C4'-P energy: -119.260 bonds (distance) P-C4' energy: -109.779 flat angles C4'-P-C4' energy: -120.530 flat angles P-C4'-P energy: -88.278 tors. eta vs tors. theta energy: -177.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1936.887777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.887777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.887777 (E_RNA) where: Base-Base interactions energy: -1308.777 where: short stacking energy: -563.662 Base-Backbone interact. energy: -2.728 local terms energy: -625.381851 where: bonds (distance) C4'-P energy: -102.268 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -128.125 flat angles P-C4'-P energy: -98.355 tors. eta vs tors. theta energy: -178.190 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: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1792.394440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.394440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.394440 (E_RNA) where: Base-Base interactions energy: -1244.407 where: short stacking energy: -539.713 Base-Backbone interact. energy: -1.475 local terms energy: -546.512211 where: bonds (distance) C4'-P energy: -103.790 bonds (distance) P-C4' energy: -120.104 flat angles C4'-P-C4' energy: -97.774 flat angles P-C4'-P energy: -76.189 tors. eta vs tors. theta energy: -148.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1661.917171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.917171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.917171 (E_RNA) where: Base-Base interactions energy: -1117.796 where: short stacking energy: -478.648 Base-Backbone interact. energy: -2.212 local terms energy: -541.909691 where: bonds (distance) C4'-P energy: -98.202 bonds (distance) P-C4' energy: -112.570 flat angles C4'-P-C4' energy: -116.032 flat angles P-C4'-P energy: -84.443 tors. eta vs tors. theta energy: -130.662 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: 6, replica: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1560.002096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.002096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.002096 (E_RNA) where: Base-Base interactions energy: -1031.803 where: short stacking energy: -448.036 Base-Backbone interact. energy: -2.613 local terms energy: -525.586839 where: bonds (distance) C4'-P energy: -112.463 bonds (distance) P-C4' energy: -112.243 flat angles C4'-P-C4' energy: -117.349 flat angles P-C4'-P energy: -73.509 tors. eta vs tors. theta energy: -110.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1302.420888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.420888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.420888 (E_RNA) where: Base-Base interactions energy: -857.904 where: short stacking energy: -382.225 Base-Backbone interact. energy: -2.038 local terms energy: -442.479679 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -89.237 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -72.002 tors. eta vs tors. theta energy: -93.364 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: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1080.558106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.558106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.558106 (E_RNA) where: Base-Base interactions energy: -660.761 where: short stacking energy: -301.679 Base-Backbone interact. energy: 1.190 local terms energy: -420.987183 where: bonds (distance) C4'-P energy: -98.652 bonds (distance) P-C4' energy: -107.142 flat angles C4'-P-C4' energy: -108.140 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -57.441 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: 326 Temperature: 1.300000 Total energy: -770.843957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.843957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.843957 (E_RNA) where: Base-Base interactions energy: -401.050 where: short stacking energy: -194.534 Base-Backbone interact. energy: 3.919 local terms energy: -373.712546 where: bonds (distance) C4'-P energy: -90.099 bonds (distance) P-C4' energy: -110.739 flat angles C4'-P-C4' energy: -96.139 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -27.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -470.222145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.222145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.222145 (E_RNA) where: Base-Base interactions energy: -179.530 where: short stacking energy: -95.481 Base-Backbone interact. energy: -2.349 local terms energy: -288.343627 where: bonds (distance) C4'-P energy: -91.743 bonds (distance) P-C4' energy: -119.198 flat angles C4'-P-C4' energy: -81.455 flat angles P-C4'-P energy: -52.991 tors. eta vs tors. theta energy: 57.044 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: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2112.712284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.712284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.712284 (E_RNA) where: Base-Base interactions energy: -1466.473 where: short stacking energy: -642.292 Base-Backbone interact. energy: -4.283 local terms energy: -641.956059 where: bonds (distance) C4'-P energy: -119.558 bonds (distance) P-C4' energy: -117.524 flat angles C4'-P-C4' energy: -136.936 flat angles P-C4'-P energy: -88.893 tors. eta vs tors. theta energy: -179.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2010.011631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.011631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.011631 (E_RNA) where: Base-Base interactions energy: -1369.111 where: short stacking energy: -587.892 Base-Backbone interact. energy: -0.022 local terms energy: -640.878135 where: bonds (distance) C4'-P energy: -122.384 bonds (distance) P-C4' energy: -118.218 flat angles C4'-P-C4' energy: -123.345 flat angles P-C4'-P energy: -91.598 tors. eta vs tors. theta energy: -185.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1908.328142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.328142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.328142 (E_RNA) where: Base-Base interactions energy: -1308.226 where: short stacking energy: -551.730 Base-Backbone interact. energy: -3.185 local terms energy: -596.916410 where: bonds (distance) C4'-P energy: -116.491 bonds (distance) P-C4' energy: -115.762 flat angles C4'-P-C4' energy: -117.787 flat angles P-C4'-P energy: -83.747 tors. eta vs tors. theta energy: -163.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1722.469752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.469752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.469752 (E_RNA) where: Base-Base interactions energy: -1142.338 where: short stacking energy: -484.319 Base-Backbone interact. energy: -2.784 local terms energy: -577.347767 where: bonds (distance) C4'-P energy: -118.858 bonds (distance) P-C4' energy: -116.701 flat angles C4'-P-C4' energy: -120.405 flat angles P-C4'-P energy: -82.187 tors. eta vs tors. theta energy: -139.196 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: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1738.213190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.213190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.213190 (E_RNA) where: Base-Base interactions energy: -1161.794 where: short stacking energy: -485.931 Base-Backbone interact. energy: 0.452 local terms energy: -576.871504 where: bonds (distance) C4'-P energy: -108.891 bonds (distance) P-C4' energy: -119.044 flat angles C4'-P-C4' energy: -130.767 flat angles P-C4'-P energy: -76.584 tors. eta vs tors. theta energy: -141.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1543.491996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.491996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.491996 (E_RNA) where: Base-Base interactions energy: -1037.407 where: short stacking energy: -465.305 Base-Backbone interact. energy: -0.735 local terms energy: -505.350007 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -106.104 flat angles C4'-P-C4' energy: -112.712 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -120.004 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: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1312.440390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.440390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.440390 (E_RNA) where: Base-Base interactions energy: -832.946 where: short stacking energy: -394.321 Base-Backbone interact. energy: -2.060 local terms energy: -477.434614 where: bonds (distance) C4'-P energy: -95.511 bonds (distance) P-C4' energy: -105.215 flat angles C4'-P-C4' energy: -120.706 flat angles P-C4'-P energy: -55.552 tors. eta vs tors. theta energy: -100.450 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: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1084.866066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.866066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.866066 (E_RNA) where: Base-Base interactions energy: -662.601 where: short stacking energy: -307.933 Base-Backbone interact. energy: 1.231 local terms energy: -423.495923 where: bonds (distance) C4'-P energy: -99.538 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -87.149 flat angles P-C4'-P energy: -70.347 tors. eta vs tors. theta energy: -57.511 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: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -742.392198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.392198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.392198 (E_RNA) where: Base-Base interactions energy: -375.101 where: short stacking energy: -196.393 Base-Backbone interact. energy: -1.625 local terms energy: -365.666384 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -111.486 flat angles C4'-P-C4' energy: -103.105 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -14.898 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: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -531.208703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.208703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.208703 (E_RNA) where: Base-Base interactions energy: -207.406 where: short stacking energy: -143.531 Base-Backbone interact. energy: 4.970 local terms energy: -328.773066 where: bonds (distance) C4'-P energy: -96.117 bonds (distance) P-C4' energy: -103.613 flat angles C4'-P-C4' energy: -85.442 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: 15.572 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: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2124.234626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.234626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.234626 (E_RNA) where: Base-Base interactions energy: -1478.087 where: short stacking energy: -632.307 Base-Backbone interact. energy: -1.944 local terms energy: -644.204089 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -119.244 flat angles C4'-P-C4' energy: -127.461 flat angles P-C4'-P energy: -103.330 tors. eta vs tors. theta energy: -187.003 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: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2016.033290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.033290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.033290 (E_RNA) where: Base-Base interactions energy: -1382.877 where: short stacking energy: -573.861 Base-Backbone interact. energy: -2.608 local terms energy: -630.549029 where: bonds (distance) C4'-P energy: -108.383 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -144.686 flat angles P-C4'-P energy: -89.584 tors. eta vs tors. theta energy: -169.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1927.722525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.722525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.722525 (E_RNA) where: Base-Base interactions energy: -1314.696 where: short stacking energy: -572.652 Base-Backbone interact. energy: 3.064 local terms energy: -616.090909 where: bonds (distance) C4'-P energy: -113.009 bonds (distance) P-C4' energy: -119.283 flat angles C4'-P-C4' energy: -137.308 flat angles P-C4'-P energy: -73.491 tors. eta vs tors. theta energy: -173.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1777.957357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.957357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.957357 (E_RNA) where: Base-Base interactions energy: -1222.612 where: short stacking energy: -510.461 Base-Backbone interact. energy: -2.667 local terms energy: -552.677901 where: bonds (distance) C4'-P energy: -101.398 bonds (distance) P-C4' energy: -99.896 flat angles C4'-P-C4' energy: -117.632 flat angles P-C4'-P energy: -84.340 tors. eta vs tors. theta energy: -149.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1714.345809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.345809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.345809 (E_RNA) where: Base-Base interactions energy: -1179.135 where: short stacking energy: -474.209 Base-Backbone interact. energy: -3.906 local terms energy: -531.304515 where: bonds (distance) C4'-P energy: -104.400 bonds (distance) P-C4' energy: -117.003 flat angles C4'-P-C4' energy: -123.301 flat angles P-C4'-P energy: -65.502 tors. eta vs tors. theta energy: -121.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1469.455201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.455201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.455201 (E_RNA) where: Base-Base interactions energy: -978.213 where: short stacking energy: -408.916 Base-Backbone interact. energy: -1.141 local terms energy: -490.100681 where: bonds (distance) C4'-P energy: -100.536 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -119.949 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -106.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1295.672099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.672099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.672099 (E_RNA) where: Base-Base interactions energy: -833.787 where: short stacking energy: -394.288 Base-Backbone interact. energy: -1.583 local terms energy: -460.302171 where: bonds (distance) C4'-P energy: -92.537 bonds (distance) P-C4' energy: -91.901 flat angles C4'-P-C4' energy: -100.445 flat angles P-C4'-P energy: -76.170 tors. eta vs tors. theta energy: -99.250 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1139.435881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.435881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.435881 (E_RNA) where: Base-Base interactions energy: -721.058 where: short stacking energy: -309.195 Base-Backbone interact. energy: -1.387 local terms energy: -416.990842 where: bonds (distance) C4'-P energy: -95.789 bonds (distance) P-C4' energy: -101.496 flat angles C4'-P-C4' energy: -98.098 flat angles P-C4'-P energy: -62.992 tors. eta vs tors. theta energy: -58.615 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: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -693.494019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.494019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.494019 (E_RNA) where: Base-Base interactions energy: -333.175 where: short stacking energy: -204.948 Base-Backbone interact. energy: -1.738 local terms energy: -358.580465 where: bonds (distance) C4'-P energy: -94.688 bonds (distance) P-C4' energy: -105.380 flat angles C4'-P-C4' energy: -95.705 flat angles P-C4'-P energy: -42.345 tors. eta vs tors. theta energy: -20.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -538.841934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.841934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.841934 (E_RNA) where: Base-Base interactions energy: -220.382 where: short stacking energy: -151.418 Base-Backbone interact. energy: -2.517 local terms energy: -315.943110 where: bonds (distance) C4'-P energy: -93.549 bonds (distance) P-C4' energy: -100.957 flat angles C4'-P-C4' energy: -99.076 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: 20.420 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: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2125.204425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.204425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.204425 (E_RNA) where: Base-Base interactions energy: -1466.946 where: short stacking energy: -603.007 Base-Backbone interact. energy: -1.742 local terms energy: -656.516916 where: bonds (distance) C4'-P energy: -110.063 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -94.805 tors. eta vs tors. theta energy: -180.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2034.871657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.871657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.871657 (E_RNA) where: Base-Base interactions energy: -1422.978 where: short stacking energy: -585.421 Base-Backbone interact. energy: -3.456 local terms energy: -608.436843 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -103.446 flat angles C4'-P-C4' energy: -133.418 flat angles P-C4'-P energy: -90.263 tors. eta vs tors. theta energy: -178.263 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: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1936.006499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.006499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.006499 (E_RNA) where: Base-Base interactions energy: -1308.528 where: short stacking energy: -574.496 Base-Backbone interact. energy: -1.051 local terms energy: -626.427526 where: bonds (distance) C4'-P energy: -117.149 bonds (distance) P-C4' energy: -104.405 flat angles C4'-P-C4' energy: -131.296 flat angles P-C4'-P energy: -94.493 tors. eta vs tors. theta energy: -179.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1820.750317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.750317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.750317 (E_RNA) where: Base-Base interactions energy: -1244.814 where: short stacking energy: -538.572 Base-Backbone interact. energy: -0.601 local terms energy: -575.335526 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -94.821 flat angles C4'-P-C4' energy: -134.023 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -160.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1761.290107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.290107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.290107 (E_RNA) where: Base-Base interactions energy: -1206.376 where: short stacking energy: -485.635 Base-Backbone interact. energy: -4.499 local terms energy: -550.415948 where: bonds (distance) C4'-P energy: -92.715 bonds (distance) P-C4' energy: -112.615 flat angles C4'-P-C4' energy: -125.465 flat angles P-C4'-P energy: -82.405 tors. eta vs tors. theta energy: -137.216 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: 329 Temperature: 1.150000 Total energy: -1466.152823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.152823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.152823 (E_RNA) where: Base-Base interactions energy: -980.379 where: short stacking energy: -452.098 Base-Backbone interact. energy: 2.789 local terms energy: -488.562637 where: bonds (distance) C4'-P energy: -117.595 bonds (distance) P-C4' energy: -98.147 flat angles C4'-P-C4' energy: -99.615 flat angles P-C4'-P energy: -56.866 tors. eta vs tors. theta energy: -116.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1278.415353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.415353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.415353 (E_RNA) where: Base-Base interactions energy: -788.126 where: short stacking energy: -351.462 Base-Backbone interact. energy: 2.842 local terms energy: -493.131516 where: bonds (distance) C4'-P energy: -99.757 bonds (distance) P-C4' energy: -120.457 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -78.701 tors. eta vs tors. theta energy: -76.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1128.943579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.943579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.943579 (E_RNA) where: Base-Base interactions energy: -731.205 where: short stacking energy: -333.418 Base-Backbone interact. energy: -2.246 local terms energy: -395.492768 where: bonds (distance) C4'-P energy: -94.812 bonds (distance) P-C4' energy: -86.107 flat angles C4'-P-C4' energy: -94.571 flat angles P-C4'-P energy: -58.367 tors. eta vs tors. theta energy: -61.637 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: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -674.093253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.093253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.093253 (E_RNA) where: Base-Base interactions energy: -332.271 where: short stacking energy: -177.796 Base-Backbone interact. energy: -1.278 local terms energy: -340.544618 where: bonds (distance) C4'-P energy: -103.942 bonds (distance) P-C4' energy: -97.224 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: 8.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -458.728599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.728599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.728599 (E_RNA) where: Base-Base interactions energy: -133.942 where: short stacking energy: -123.226 Base-Backbone interact. energy: -2.351 local terms energy: -322.435790 where: bonds (distance) C4'-P energy: -96.032 bonds (distance) P-C4' energy: -104.348 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -50.044 tors. eta vs tors. theta energy: 11.454 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: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2125.775149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.775149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.775149 (E_RNA) where: Base-Base interactions energy: -1443.195 where: short stacking energy: -616.398 Base-Backbone interact. energy: -2.652 local terms energy: -679.928478 where: bonds (distance) C4'-P energy: -134.794 bonds (distance) P-C4' energy: -123.970 flat angles C4'-P-C4' energy: -144.068 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -187.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2046.218416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.218416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.218416 (E_RNA) where: Base-Base interactions energy: -1400.579 where: short stacking energy: -584.086 Base-Backbone interact. energy: -1.021 local terms energy: -644.618342 where: bonds (distance) C4'-P energy: -115.871 bonds (distance) P-C4' energy: -115.335 flat angles C4'-P-C4' energy: -142.085 flat angles P-C4'-P energy: -96.830 tors. eta vs tors. theta energy: -174.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1910.706417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.706417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.706417 (E_RNA) where: Base-Base interactions energy: -1294.280 where: short stacking energy: -536.265 Base-Backbone interact. energy: -3.461 local terms energy: -612.965518 where: bonds (distance) C4'-P energy: -119.286 bonds (distance) P-C4' energy: -115.942 flat angles C4'-P-C4' energy: -135.445 flat angles P-C4'-P energy: -75.090 tors. eta vs tors. theta energy: -167.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1825.011357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.011357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.011357 (E_RNA) where: Base-Base interactions energy: -1228.872 where: short stacking energy: -529.665 Base-Backbone interact. energy: -1.505 local terms energy: -594.634469 where: bonds (distance) C4'-P energy: -118.130 bonds (distance) P-C4' energy: -107.319 flat angles C4'-P-C4' energy: -132.159 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -162.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1755.684399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.684399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.684399 (E_RNA) where: Base-Base interactions energy: -1202.317 where: short stacking energy: -472.748 Base-Backbone interact. energy: -1.514 local terms energy: -551.853363 where: bonds (distance) C4'-P energy: -90.566 bonds (distance) P-C4' energy: -114.403 flat angles C4'-P-C4' energy: -116.881 flat angles P-C4'-P energy: -93.243 tors. eta vs tors. theta energy: -136.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1476.911382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.911382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.911382 (E_RNA) where: Base-Base interactions energy: -948.095 where: short stacking energy: -405.947 Base-Backbone interact. energy: -1.831 local terms energy: -526.985314 where: bonds (distance) C4'-P energy: -112.743 bonds (distance) P-C4' energy: -109.339 flat angles C4'-P-C4' energy: -119.415 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -109.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1246.480616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.480616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.480616 (E_RNA) where: Base-Base interactions energy: -814.995 where: short stacking energy: -336.804 Base-Backbone interact. energy: -0.696 local terms energy: -430.789209 where: bonds (distance) C4'-P energy: -85.163 bonds (distance) P-C4' energy: -110.419 flat angles C4'-P-C4' energy: -101.058 flat angles P-C4'-P energy: -59.161 tors. eta vs tors. theta energy: -74.988 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: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1148.986975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.986975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.986975 (E_RNA) where: Base-Base interactions energy: -725.689 where: short stacking energy: -343.909 Base-Backbone interact. energy: 0.421 local terms energy: -423.719600 where: bonds (distance) C4'-P energy: -99.965 bonds (distance) P-C4' energy: -92.880 flat angles C4'-P-C4' energy: -110.399 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -62.922 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: 330 Temperature: 1.300000 Total energy: -748.791553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.791553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.791553 (E_RNA) where: Base-Base interactions energy: -385.355 where: short stacking energy: -226.510 Base-Backbone interact. energy: -3.674 local terms energy: -359.763017 where: bonds (distance) C4'-P energy: -83.991 bonds (distance) P-C4' energy: -112.546 flat angles C4'-P-C4' energy: -90.341 flat angles P-C4'-P energy: -56.703 tors. eta vs tors. theta energy: -16.182 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: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -486.534177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.534177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.534177 (E_RNA) where: Base-Base interactions energy: -200.810 where: short stacking energy: -139.816 Base-Backbone interact. energy: -0.231 local terms energy: -285.492488 where: bonds (distance) C4'-P energy: -104.832 bonds (distance) P-C4' energy: -86.405 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -24.097 tors. eta vs tors. theta energy: 19.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2087.061056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.061056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.061056 (E_RNA) where: Base-Base interactions energy: -1431.111 where: short stacking energy: -620.905 Base-Backbone interact. energy: -0.369 local terms energy: -655.580419 where: bonds (distance) C4'-P energy: -123.551 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -138.337 flat angles P-C4'-P energy: -92.468 tors. eta vs tors. theta energy: -176.982 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: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2057.617834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.617834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.617834 (E_RNA) where: Base-Base interactions energy: -1423.809 where: short stacking energy: -595.218 Base-Backbone interact. energy: -2.260 local terms energy: -631.548972 where: bonds (distance) C4'-P energy: -118.492 bonds (distance) P-C4' energy: -122.792 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -77.094 tors. eta vs tors. theta energy: -179.136 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: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1940.954741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.954741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.954741 (E_RNA) where: Base-Base interactions energy: -1335.609 where: short stacking energy: -542.204 Base-Backbone interact. energy: -3.935 local terms energy: -601.410563 where: bonds (distance) C4'-P energy: -110.636 bonds (distance) P-C4' energy: -123.332 flat angles C4'-P-C4' energy: -120.766 flat angles P-C4'-P energy: -80.191 tors. eta vs tors. theta energy: -166.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1861.030792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.030792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.030792 (E_RNA) where: Base-Base interactions energy: -1310.743 where: short stacking energy: -540.296 Base-Backbone interact. energy: -0.277 local terms energy: -550.010824 where: bonds (distance) C4'-P energy: -92.949 bonds (distance) P-C4' energy: -111.969 flat angles C4'-P-C4' energy: -121.713 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: -152.929 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: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1770.203416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.203416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.203416 (E_RNA) where: Base-Base interactions energy: -1196.225 where: short stacking energy: -479.361 Base-Backbone interact. energy: -2.176 local terms energy: -571.803259 where: bonds (distance) C4'-P energy: -119.303 bonds (distance) P-C4' energy: -115.952 flat angles C4'-P-C4' energy: -125.656 flat angles P-C4'-P energy: -63.862 tors. eta vs tors. theta energy: -147.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1504.504212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.504212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.504212 (E_RNA) where: Base-Base interactions energy: -988.781 where: short stacking energy: -417.022 Base-Backbone interact. energy: -1.680 local terms energy: -514.042429 where: bonds (distance) C4'-P energy: -96.502 bonds (distance) P-C4' energy: -102.005 flat angles C4'-P-C4' energy: -120.467 flat angles P-C4'-P energy: -79.663 tors. eta vs tors. theta energy: -115.405 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: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1291.020677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.020677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.020677 (E_RNA) where: Base-Base interactions energy: -827.469 where: short stacking energy: -374.497 Base-Backbone interact. energy: -2.164 local terms energy: -461.387962 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -97.765 flat angles C4'-P-C4' energy: -107.523 flat angles P-C4'-P energy: -71.957 tors. eta vs tors. theta energy: -95.224 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: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1075.401158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.401158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.401158 (E_RNA) where: Base-Base interactions energy: -651.732 where: short stacking energy: -303.141 Base-Backbone interact. energy: -2.811 local terms energy: -420.858388 where: bonds (distance) C4'-P energy: -107.216 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -100.457 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: -61.610 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: 331 Temperature: 1.300000 Total energy: -758.082125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.082125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.082125 (E_RNA) where: Base-Base interactions energy: -431.961 where: short stacking energy: -226.770 Base-Backbone interact. energy: -3.986 local terms energy: -322.135521 where: bonds (distance) C4'-P energy: -88.712 bonds (distance) P-C4' energy: -103.762 flat angles C4'-P-C4' energy: -88.489 flat angles P-C4'-P energy: -28.545 tors. eta vs tors. theta energy: -12.628 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: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -471.694940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.694940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.694940 (E_RNA) where: Base-Base interactions energy: -161.473 where: short stacking energy: -137.412 Base-Backbone interact. energy: -4.288 local terms energy: -305.934147 where: bonds (distance) C4'-P energy: -95.297 bonds (distance) P-C4' energy: -117.143 flat angles C4'-P-C4' energy: -83.990 flat angles P-C4'-P energy: -26.699 tors. eta vs tors. theta energy: 17.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2107.025048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.025048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.025048 (E_RNA) where: Base-Base interactions energy: -1454.077 where: short stacking energy: -611.549 Base-Backbone interact. energy: -2.724 local terms energy: -650.223923 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -117.518 flat angles C4'-P-C4' energy: -140.386 flat angles P-C4'-P energy: -92.779 tors. eta vs tors. theta energy: -179.531 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: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2066.114164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.114164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.114164 (E_RNA) where: Base-Base interactions energy: -1440.491 where: short stacking energy: -610.892 Base-Backbone interact. energy: -0.417 local terms energy: -625.205732 where: bonds (distance) C4'-P energy: -116.409 bonds (distance) P-C4' energy: -106.677 flat angles C4'-P-C4' energy: -129.269 flat angles P-C4'-P energy: -86.484 tors. eta vs tors. theta energy: -186.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1962.037779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.037779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.037779 (E_RNA) where: Base-Base interactions energy: -1338.032 where: short stacking energy: -563.709 Base-Backbone interact. energy: -2.176 local terms energy: -621.828980 where: bonds (distance) C4'-P energy: -123.861 bonds (distance) P-C4' energy: -116.568 flat angles C4'-P-C4' energy: -125.121 flat angles P-C4'-P energy: -87.403 tors. eta vs tors. theta energy: -168.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1846.488214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.488214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.488214 (E_RNA) where: Base-Base interactions energy: -1236.855 where: short stacking energy: -524.946 Base-Backbone interact. energy: -3.829 local terms energy: -605.803884 where: bonds (distance) C4'-P energy: -109.138 bonds (distance) P-C4' energy: -122.934 flat angles C4'-P-C4' energy: -125.814 flat angles P-C4'-P energy: -88.088 tors. eta vs tors. theta energy: -159.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1775.005213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.005213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.005213 (E_RNA) where: Base-Base interactions energy: -1242.154 where: short stacking energy: -538.814 Base-Backbone interact. energy: -2.997 local terms energy: -529.853572 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -96.074 flat angles C4'-P-C4' energy: -112.378 flat angles P-C4'-P energy: -75.941 tors. eta vs tors. theta energy: -151.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1537.044461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.044461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.044461 (E_RNA) where: Base-Base interactions energy: -1003.060 where: short stacking energy: -433.221 Base-Backbone interact. energy: -3.447 local terms energy: -530.537809 where: bonds (distance) C4'-P energy: -115.135 bonds (distance) P-C4' energy: -120.889 flat angles C4'-P-C4' energy: -103.300 flat angles P-C4'-P energy: -75.403 tors. eta vs tors. theta energy: -115.810 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: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1293.978321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.978321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.978321 (E_RNA) where: Base-Base interactions energy: -811.037 where: short stacking energy: -374.751 Base-Backbone interact. energy: 1.254 local terms energy: -484.195589 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -101.893 flat angles C4'-P-C4' energy: -114.571 flat angles P-C4'-P energy: -71.023 tors. eta vs tors. theta energy: -97.475 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: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1130.358466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.358466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.358466 (E_RNA) where: Base-Base interactions energy: -699.672 where: short stacking energy: -292.281 Base-Backbone interact. energy: 2.349 local terms energy: -433.034789 where: bonds (distance) C4'-P energy: -96.193 bonds (distance) P-C4' energy: -103.010 flat angles C4'-P-C4' energy: -98.829 flat angles P-C4'-P energy: -74.316 tors. eta vs tors. theta energy: -60.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -611.717132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.717132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.717132 (E_RNA) where: Base-Base interactions energy: -301.773 where: short stacking energy: -155.060 Base-Backbone interact. energy: 10.663 local terms energy: -320.606565 where: bonds (distance) C4'-P energy: -84.163 bonds (distance) P-C4' energy: -109.024 flat angles C4'-P-C4' energy: -81.051 flat angles P-C4'-P energy: -55.133 tors. eta vs tors. theta energy: 8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -511.461899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.461899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.461899 (E_RNA) where: Base-Base interactions energy: -205.706 where: short stacking energy: -111.996 Base-Backbone interact. energy: 3.626 local terms energy: -309.382390 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -113.704 flat angles C4'-P-C4' energy: -75.915 flat angles P-C4'-P energy: -30.010 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: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2104.770674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.770674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.770674 (E_RNA) where: Base-Base interactions energy: -1463.314 where: short stacking energy: -607.036 Base-Backbone interact. energy: -0.919 local terms energy: -640.538376 where: bonds (distance) C4'-P energy: -112.101 bonds (distance) P-C4' energy: -122.165 flat angles C4'-P-C4' energy: -129.918 flat angles P-C4'-P energy: -89.070 tors. eta vs tors. theta energy: -187.285 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: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2049.392506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.392506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.392506 (E_RNA) where: Base-Base interactions energy: -1418.456 where: short stacking energy: -609.602 Base-Backbone interact. energy: -3.056 local terms energy: -627.880561 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -120.862 flat angles C4'-P-C4' energy: -140.718 flat angles P-C4'-P energy: -92.951 tors. eta vs tors. theta energy: -172.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1976.204235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.204235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.204235 (E_RNA) where: Base-Base interactions energy: -1356.302 where: short stacking energy: -593.077 Base-Backbone interact. energy: -4.029 local terms energy: -615.872877 where: bonds (distance) C4'-P energy: -116.801 bonds (distance) P-C4' energy: -112.386 flat angles C4'-P-C4' energy: -130.552 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: -180.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1811.388826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.388826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.388826 (E_RNA) where: Base-Base interactions energy: -1241.110 where: short stacking energy: -553.378 Base-Backbone interact. energy: -2.508 local terms energy: -567.770472 where: bonds (distance) C4'-P energy: -107.729 bonds (distance) P-C4' energy: -96.594 flat angles C4'-P-C4' energy: -129.348 flat angles P-C4'-P energy: -72.973 tors. eta vs tors. theta energy: -161.126 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: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1744.417956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.417956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.417956 (E_RNA) where: Base-Base interactions energy: -1225.565 where: short stacking energy: -491.861 Base-Backbone interact. energy: 5.759 local terms energy: -524.612653 where: bonds (distance) C4'-P energy: -107.148 bonds (distance) P-C4' energy: -113.443 flat angles C4'-P-C4' energy: -99.882 flat angles P-C4'-P energy: -68.373 tors. eta vs tors. theta energy: -135.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1538.914029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.914029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.914029 (E_RNA) where: Base-Base interactions energy: -1001.264 where: short stacking energy: -465.716 Base-Backbone interact. energy: 0.997 local terms energy: -538.647065 where: bonds (distance) C4'-P energy: -106.269 bonds (distance) P-C4' energy: -103.742 flat angles C4'-P-C4' energy: -124.858 flat angles P-C4'-P energy: -73.980 tors. eta vs tors. theta energy: -129.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1232.835215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.835215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.835215 (E_RNA) where: Base-Base interactions energy: -767.492 where: short stacking energy: -354.077 Base-Backbone interact. energy: -1.731 local terms energy: -463.611369 where: bonds (distance) C4'-P energy: -92.894 bonds (distance) P-C4' energy: -107.317 flat angles C4'-P-C4' energy: -111.885 flat angles P-C4'-P energy: -72.788 tors. eta vs tors. theta energy: -78.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1084.311641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.311641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.311641 (E_RNA) where: Base-Base interactions energy: -668.417 where: short stacking energy: -299.900 Base-Backbone interact. energy: 4.863 local terms energy: -420.757597 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -97.865 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -65.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -642.768820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.768820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.768820 (E_RNA) where: Base-Base interactions energy: -326.953 where: short stacking energy: -198.659 Base-Backbone interact. energy: 1.441 local terms energy: -317.256447 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -95.527 flat angles C4'-P-C4' energy: -98.990 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -500.252079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.252079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.252079 (E_RNA) where: Base-Base interactions energy: -233.021 where: short stacking energy: -167.756 Base-Backbone interact. energy: 0.932 local terms energy: -268.163329 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -106.588 flat angles C4'-P-C4' energy: -63.172 flat angles P-C4'-P energy: -53.675 tors. eta vs tors. theta energy: 14.332 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: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2119.063583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.063583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.063583 (E_RNA) where: Base-Base interactions energy: -1454.413 where: short stacking energy: -622.304 Base-Backbone interact. energy: -2.204 local terms energy: -662.446305 where: bonds (distance) C4'-P energy: -117.169 bonds (distance) P-C4' energy: -125.140 flat angles C4'-P-C4' energy: -141.005 flat angles P-C4'-P energy: -96.658 tors. eta vs tors. theta energy: -182.475 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: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2044.264949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.264949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.264949 (E_RNA) where: Base-Base interactions energy: -1415.024 where: short stacking energy: -606.273 Base-Backbone interact. energy: -2.553 local terms energy: -626.688332 where: bonds (distance) C4'-P energy: -108.304 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -137.628 flat angles P-C4'-P energy: -81.025 tors. eta vs tors. theta energy: -182.446 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: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1952.395195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.395195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.395195 (E_RNA) where: Base-Base interactions energy: -1342.662 where: short stacking energy: -592.089 Base-Backbone interact. energy: -2.007 local terms energy: -607.726292 where: bonds (distance) C4'-P energy: -95.476 bonds (distance) P-C4' energy: -114.224 flat angles C4'-P-C4' energy: -125.330 flat angles P-C4'-P energy: -87.296 tors. eta vs tors. theta energy: -185.400 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: 4, replica: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1806.277275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.277275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.277275 (E_RNA) where: Base-Base interactions energy: -1207.538 where: short stacking energy: -537.556 Base-Backbone interact. energy: 0.816 local terms energy: -599.555562 where: bonds (distance) C4'-P energy: -109.251 bonds (distance) P-C4' energy: -119.035 flat angles C4'-P-C4' energy: -128.304 flat angles P-C4'-P energy: -79.183 tors. eta vs tors. theta energy: -163.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1724.550859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.550859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.550859 (E_RNA) where: Base-Base interactions energy: -1183.681 where: short stacking energy: -494.150 Base-Backbone interact. energy: -2.938 local terms energy: -537.932024 where: bonds (distance) C4'-P energy: -96.365 bonds (distance) P-C4' energy: -107.864 flat angles C4'-P-C4' energy: -115.413 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -135.070 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: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1521.253948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.253948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.253948 (E_RNA) where: Base-Base interactions energy: -964.757 where: short stacking energy: -445.759 Base-Backbone interact. energy: 0.253 local terms energy: -556.750115 where: bonds (distance) C4'-P energy: -116.011 bonds (distance) P-C4' energy: -108.671 flat angles C4'-P-C4' energy: -115.998 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -123.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1207.321339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.321339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.321339 (E_RNA) where: Base-Base interactions energy: -760.895 where: short stacking energy: -366.129 Base-Backbone interact. energy: -1.477 local terms energy: -444.949683 where: bonds (distance) C4'-P energy: -105.307 bonds (distance) P-C4' energy: -89.474 flat angles C4'-P-C4' energy: -93.239 flat angles P-C4'-P energy: -77.584 tors. eta vs tors. theta energy: -79.345 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: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1155.105459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.105459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.105459 (E_RNA) where: Base-Base interactions energy: -712.471 where: short stacking energy: -311.530 Base-Backbone interact. energy: 0.225 local terms energy: -442.860037 where: bonds (distance) C4'-P energy: -113.790 bonds (distance) P-C4' energy: -102.629 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -72.657 tors. eta vs tors. theta energy: -51.756 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: 334 Temperature: 1.300000 Total energy: -750.732990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.732990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.732990 (E_RNA) where: Base-Base interactions energy: -384.561 where: short stacking energy: -198.062 Base-Backbone interact. energy: -1.777 local terms energy: -364.395264 where: bonds (distance) C4'-P energy: -94.032 bonds (distance) P-C4' energy: -105.452 flat angles C4'-P-C4' energy: -99.611 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -11.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -519.451019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.451019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.451019 (E_RNA) where: Base-Base interactions energy: -211.095 where: short stacking energy: -143.146 Base-Backbone interact. energy: -4.173 local terms energy: -304.182312 where: bonds (distance) C4'-P energy: -91.908 bonds (distance) P-C4' energy: -85.182 flat angles C4'-P-C4' energy: -91.151 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: 20.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2118.186755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.186755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.186755 (E_RNA) where: Base-Base interactions energy: -1459.699 where: short stacking energy: -629.979 Base-Backbone interact. energy: -4.679 local terms energy: -653.809026 where: bonds (distance) C4'-P energy: -104.826 bonds (distance) P-C4' energy: -127.025 flat angles C4'-P-C4' energy: -139.176 flat angles P-C4'-P energy: -94.282 tors. eta vs tors. theta energy: -188.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2043.703696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.703696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.703696 (E_RNA) where: Base-Base interactions energy: -1405.775 where: short stacking energy: -588.911 Base-Backbone interact. energy: -0.730 local terms energy: -637.198632 where: bonds (distance) C4'-P energy: -97.474 bonds (distance) P-C4' energy: -132.622 flat angles C4'-P-C4' energy: -138.520 flat angles P-C4'-P energy: -93.153 tors. eta vs tors. theta energy: -175.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1906.118458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.118458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.118458 (E_RNA) where: Base-Base interactions energy: -1287.285 where: short stacking energy: -533.182 Base-Backbone interact. energy: -1.638 local terms energy: -617.195167 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -117.116 flat angles C4'-P-C4' energy: -133.925 flat angles P-C4'-P energy: -83.468 tors. eta vs tors. theta energy: -168.746 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: 4, replica: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1790.316932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.316932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.316932 (E_RNA) where: Base-Base interactions energy: -1192.798 where: short stacking energy: -517.296 Base-Backbone interact. energy: -2.385 local terms energy: -595.133059 where: bonds (distance) C4'-P energy: -105.779 bonds (distance) P-C4' energy: -118.430 flat angles C4'-P-C4' energy: -119.178 flat angles P-C4'-P energy: -97.490 tors. eta vs tors. theta energy: -154.255 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: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1724.881447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.881447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.881447 (E_RNA) where: Base-Base interactions energy: -1189.204 where: short stacking energy: -494.069 Base-Backbone interact. energy: -2.938 local terms energy: -532.739650 where: bonds (distance) C4'-P energy: -114.861 bonds (distance) P-C4' energy: -87.859 flat angles C4'-P-C4' energy: -114.124 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -142.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1493.592745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.592745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.592745 (E_RNA) where: Base-Base interactions energy: -993.707 where: short stacking energy: -415.297 Base-Backbone interact. energy: 2.795 local terms energy: -502.681260 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -107.386 flat angles C4'-P-C4' energy: -103.553 flat angles P-C4'-P energy: -91.505 tors. eta vs tors. theta energy: -113.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1247.761296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.761296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.761296 (E_RNA) where: Base-Base interactions energy: -806.846 where: short stacking energy: -362.604 Base-Backbone interact. energy: 2.991 local terms energy: -443.906853 where: bonds (distance) C4'-P energy: -116.397 bonds (distance) P-C4' energy: -92.047 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -61.658 tors. eta vs tors. theta energy: -72.886 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: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1134.378915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.378915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.378915 (E_RNA) where: Base-Base interactions energy: -722.020 where: short stacking energy: -318.225 Base-Backbone interact. energy: -1.588 local terms energy: -410.771266 where: bonds (distance) C4'-P energy: -97.571 bonds (distance) P-C4' energy: -98.656 flat angles C4'-P-C4' energy: -112.256 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -56.507 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: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -671.633218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.633218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.633218 (E_RNA) where: Base-Base interactions energy: -344.914 where: short stacking energy: -187.816 Base-Backbone interact. energy: -2.826 local terms energy: -323.893048 where: bonds (distance) C4'-P energy: -104.419 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -82.994 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -562.994482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.994482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.994482 (E_RNA) where: Base-Base interactions energy: -264.625 where: short stacking energy: -165.495 Base-Backbone interact. energy: -2.197 local terms energy: -296.172087 where: bonds (distance) C4'-P energy: -110.584 bonds (distance) P-C4' energy: -113.138 flat angles C4'-P-C4' energy: -56.376 flat angles P-C4'-P energy: -45.160 tors. eta vs tors. theta energy: 29.086 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: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2106.602224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.602224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.602224 (E_RNA) where: Base-Base interactions energy: -1452.070 where: short stacking energy: -640.009 Base-Backbone interact. energy: -4.657 local terms energy: -649.875205 where: bonds (distance) C4'-P energy: -120.280 bonds (distance) P-C4' energy: -119.069 flat angles C4'-P-C4' energy: -142.034 flat angles P-C4'-P energy: -83.503 tors. eta vs tors. theta energy: -184.989 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: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2057.554721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.554721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.554721 (E_RNA) where: Base-Base interactions energy: -1429.328 where: short stacking energy: -599.607 Base-Backbone interact. energy: -1.916 local terms energy: -626.310566 where: bonds (distance) C4'-P energy: -127.203 bonds (distance) P-C4' energy: -111.963 flat angles C4'-P-C4' energy: -127.026 flat angles P-C4'-P energy: -87.955 tors. eta vs tors. theta energy: -172.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1925.879183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.879183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.879183 (E_RNA) where: Base-Base interactions energy: -1285.958 where: short stacking energy: -556.255 Base-Backbone interact. energy: -4.339 local terms energy: -635.581386 where: bonds (distance) C4'-P energy: -117.991 bonds (distance) P-C4' energy: -130.663 flat angles C4'-P-C4' energy: -125.272 flat angles P-C4'-P energy: -92.585 tors. eta vs tors. theta energy: -169.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1744.378222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.378222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.378222 (E_RNA) where: Base-Base interactions energy: -1197.489 where: short stacking energy: -492.630 Base-Backbone interact. energy: -3.293 local terms energy: -543.596955 where: bonds (distance) C4'-P energy: -97.628 bonds (distance) P-C4' energy: -109.399 flat angles C4'-P-C4' energy: -128.310 flat angles P-C4'-P energy: -71.080 tors. eta vs tors. theta energy: -137.180 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: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1711.402573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.402573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.402573 (E_RNA) where: Base-Base interactions energy: -1163.504 where: short stacking energy: -498.438 Base-Backbone interact. energy: 3.141 local terms energy: -551.039672 where: bonds (distance) C4'-P energy: -93.586 bonds (distance) P-C4' energy: -104.761 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -81.873 tors. eta vs tors. theta energy: -138.999 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: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1480.580374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.580374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.580374 (E_RNA) where: Base-Base interactions energy: -987.326 where: short stacking energy: -443.262 Base-Backbone interact. energy: -0.702 local terms energy: -492.552429 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: -123.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1209.359072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.359072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.359072 (E_RNA) where: Base-Base interactions energy: -784.108 where: short stacking energy: -365.015 Base-Backbone interact. energy: 0.208 local terms energy: -425.458844 where: bonds (distance) C4'-P energy: -107.153 bonds (distance) P-C4' energy: -77.794 flat angles C4'-P-C4' energy: -111.546 flat angles P-C4'-P energy: -63.617 tors. eta vs tors. theta energy: -65.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1142.755004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.755004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.755004 (E_RNA) where: Base-Base interactions energy: -718.544 where: short stacking energy: -321.341 Base-Backbone interact. energy: -1.545 local terms energy: -422.665324 where: bonds (distance) C4'-P energy: -92.815 bonds (distance) P-C4' energy: -107.857 flat angles C4'-P-C4' energy: -100.942 flat angles P-C4'-P energy: -56.056 tors. eta vs tors. theta energy: -64.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -640.842644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.842644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.842644 (E_RNA) where: Base-Base interactions energy: -346.205 where: short stacking energy: -208.653 Base-Backbone interact. energy: 0.529 local terms energy: -295.166237 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -87.211 flat angles C4'-P-C4' energy: -78.639 flat angles P-C4'-P energy: -41.595 tors. eta vs tors. theta energy: -9.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -597.635487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.635487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.635487 (E_RNA) where: Base-Base interactions energy: -273.066 where: short stacking energy: -172.624 Base-Backbone interact. energy: 1.928 local terms energy: -326.497538 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -93.884 flat angles C4'-P-C4' energy: -81.982 flat angles P-C4'-P energy: -40.083 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2114.111017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.111017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.111017 (E_RNA) where: Base-Base interactions energy: -1460.348 where: short stacking energy: -620.501 Base-Backbone interact. energy: -3.972 local terms energy: -649.790427 where: bonds (distance) C4'-P energy: -103.930 bonds (distance) P-C4' energy: -125.609 flat angles C4'-P-C4' energy: -136.827 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -187.085 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: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2033.137374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.137374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.137374 (E_RNA) where: Base-Base interactions energy: -1408.998 where: short stacking energy: -580.212 Base-Backbone interact. energy: -3.966 local terms energy: -620.173026 where: bonds (distance) C4'-P energy: -113.392 bonds (distance) P-C4' energy: -119.655 flat angles C4'-P-C4' energy: -128.255 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -167.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1902.112589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.112589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.112589 (E_RNA) where: Base-Base interactions energy: -1285.405 where: short stacking energy: -566.070 Base-Backbone interact. energy: -2.223 local terms energy: -614.485004 where: bonds (distance) C4'-P energy: -110.809 bonds (distance) P-C4' energy: -125.040 flat angles C4'-P-C4' energy: -122.574 flat angles P-C4'-P energy: -87.990 tors. eta vs tors. theta energy: -168.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1783.426319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.426319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.426319 (E_RNA) where: Base-Base interactions energy: -1206.573 where: short stacking energy: -526.022 Base-Backbone interact. energy: -4.358 local terms energy: -572.494515 where: bonds (distance) C4'-P energy: -105.290 bonds (distance) P-C4' energy: -108.771 flat angles C4'-P-C4' energy: -129.059 flat angles P-C4'-P energy: -82.977 tors. eta vs tors. theta energy: -146.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1714.519094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.519094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.519094 (E_RNA) where: Base-Base interactions energy: -1184.785 where: short stacking energy: -497.753 Base-Backbone interact. energy: -3.054 local terms energy: -526.680725 where: bonds (distance) C4'-P energy: -100.282 bonds (distance) P-C4' energy: -95.500 flat angles C4'-P-C4' energy: -116.078 flat angles P-C4'-P energy: -71.801 tors. eta vs tors. theta energy: -143.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1473.943179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.943179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.943179 (E_RNA) where: Base-Base interactions energy: -977.338 where: short stacking energy: -414.066 Base-Backbone interact. energy: -0.984 local terms energy: -495.621335 where: bonds (distance) C4'-P energy: -87.576 bonds (distance) P-C4' energy: -103.793 flat angles C4'-P-C4' energy: -122.600 flat angles P-C4'-P energy: -78.059 tors. eta vs tors. theta energy: -103.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1231.839619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.839619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.839619 (E_RNA) where: Base-Base interactions energy: -773.699 where: short stacking energy: -358.099 Base-Backbone interact. energy: -1.069 local terms energy: -457.071718 where: bonds (distance) C4'-P energy: -88.241 bonds (distance) P-C4' energy: -111.895 flat angles C4'-P-C4' energy: -113.984 flat angles P-C4'-P energy: -64.735 tors. eta vs tors. theta energy: -78.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1048.714697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.714697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.714697 (E_RNA) where: Base-Base interactions energy: -616.984 where: short stacking energy: -287.101 Base-Backbone interact. energy: -3.171 local terms energy: -428.559930 where: bonds (distance) C4'-P energy: -91.290 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -117.390 flat angles P-C4'-P energy: -62.315 tors. eta vs tors. theta energy: -44.721 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: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -612.632253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.632253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.632253 (E_RNA) where: Base-Base interactions energy: -293.140 where: short stacking energy: -185.457 Base-Backbone interact. energy: 0.631 local terms energy: -320.122784 where: bonds (distance) C4'-P energy: -87.548 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: -10.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -616.536134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.536134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.536134 (E_RNA) where: Base-Base interactions energy: -286.161 where: short stacking energy: -155.581 Base-Backbone interact. energy: 0.027 local terms energy: -330.402558 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -101.163 flat angles C4'-P-C4' energy: -88.985 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: 9.516 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: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2140.738957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.738957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.738957 (E_RNA) where: Base-Base interactions energy: -1475.473 where: short stacking energy: -619.054 Base-Backbone interact. energy: -3.908 local terms energy: -661.357327 where: bonds (distance) C4'-P energy: -117.761 bonds (distance) P-C4' energy: -129.809 flat angles C4'-P-C4' energy: -139.421 flat angles P-C4'-P energy: -91.443 tors. eta vs tors. theta energy: -182.923 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: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2039.176581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.176581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.176581 (E_RNA) where: Base-Base interactions energy: -1409.408 where: short stacking energy: -597.438 Base-Backbone interact. energy: -0.247 local terms energy: -629.520838 where: bonds (distance) C4'-P energy: -102.613 bonds (distance) P-C4' energy: -126.242 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -91.518 tors. eta vs tors. theta energy: -176.166 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: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1882.571832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.571832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.571832 (E_RNA) where: Base-Base interactions energy: -1297.197 where: short stacking energy: -539.700 Base-Backbone interact. energy: -4.630 local terms energy: -580.745061 where: bonds (distance) C4'-P energy: -113.915 bonds (distance) P-C4' energy: -95.845 flat angles C4'-P-C4' energy: -119.698 flat angles P-C4'-P energy: -74.750 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: 4, replica: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1831.140832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.140832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.140832 (E_RNA) where: Base-Base interactions energy: -1231.794 where: short stacking energy: -515.089 Base-Backbone interact. energy: -2.645 local terms energy: -596.702043 where: bonds (distance) C4'-P energy: -104.975 bonds (distance) P-C4' energy: -119.632 flat angles C4'-P-C4' energy: -138.384 flat angles P-C4'-P energy: -79.083 tors. eta vs tors. theta energy: -154.628 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: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1794.309207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.309207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.309207 (E_RNA) where: Base-Base interactions energy: -1236.842 where: short stacking energy: -517.429 Base-Backbone interact. energy: -3.379 local terms energy: -554.087644 where: bonds (distance) C4'-P energy: -104.513 bonds (distance) P-C4' energy: -116.667 flat angles C4'-P-C4' energy: -109.446 flat angles P-C4'-P energy: -85.951 tors. eta vs tors. theta energy: -137.511 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: 338 Temperature: 1.150000 Total energy: -1460.845769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.845769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.845769 (E_RNA) where: Base-Base interactions energy: -978.186 where: short stacking energy: -440.624 Base-Backbone interact. energy: -1.030 local terms energy: -481.630053 where: bonds (distance) C4'-P energy: -93.174 bonds (distance) P-C4' energy: -108.558 flat angles C4'-P-C4' energy: -110.849 flat angles P-C4'-P energy: -69.804 tors. eta vs tors. theta energy: -99.245 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: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1225.540670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.540670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.540670 (E_RNA) where: Base-Base interactions energy: -815.012 where: short stacking energy: -407.852 Base-Backbone interact. energy: -2.506 local terms energy: -408.022683 where: bonds (distance) C4'-P energy: -89.465 bonds (distance) P-C4' energy: -84.490 flat angles C4'-P-C4' energy: -112.276 flat angles P-C4'-P energy: -52.541 tors. eta vs tors. theta energy: -69.251 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: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1027.788601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.788601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.788601 (E_RNA) where: Base-Base interactions energy: -595.157 where: short stacking energy: -295.337 Base-Backbone interact. energy: -1.763 local terms energy: -430.869110 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -106.460 flat angles P-C4'-P energy: -70.911 tors. eta vs tors. theta energy: -52.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -717.019607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.019607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.019607 (E_RNA) where: Base-Base interactions energy: -352.122 where: short stacking energy: -190.102 Base-Backbone interact. energy: 1.679 local terms energy: -366.577402 where: bonds (distance) C4'-P energy: -109.950 bonds (distance) P-C4' energy: -104.903 flat angles C4'-P-C4' energy: -83.847 flat angles P-C4'-P energy: -50.294 tors. eta vs tors. theta energy: -17.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -605.775321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.775321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.775321 (E_RNA) where: Base-Base interactions energy: -277.784 where: short stacking energy: -183.475 Base-Backbone interact. energy: -0.809 local terms energy: -327.182529 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -102.875 flat angles C4'-P-C4' energy: -87.628 flat angles P-C4'-P energy: -37.435 tors. eta vs tors. theta energy: 1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2104.667338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.667338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.667338 (E_RNA) where: Base-Base interactions energy: -1478.517 where: short stacking energy: -634.170 Base-Backbone interact. energy: 0.112 local terms energy: -626.262899 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -117.976 flat angles C4'-P-C4' energy: -133.587 flat angles P-C4'-P energy: -88.670 tors. eta vs tors. theta energy: -182.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2027.956621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.956621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.956621 (E_RNA) where: Base-Base interactions energy: -1393.964 where: short stacking energy: -602.119 Base-Backbone interact. energy: -1.506 local terms energy: -632.486911 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -110.741 flat angles C4'-P-C4' energy: -132.238 flat angles P-C4'-P energy: -92.565 tors. eta vs tors. theta energy: -181.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1912.447719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.447719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.447719 (E_RNA) where: Base-Base interactions energy: -1305.452 where: short stacking energy: -554.363 Base-Backbone interact. energy: -0.243 local terms energy: -606.753162 where: bonds (distance) C4'-P energy: -103.780 bonds (distance) P-C4' energy: -108.080 flat angles C4'-P-C4' energy: -134.733 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -174.177 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: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1846.689040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.689040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.689040 (E_RNA) where: Base-Base interactions energy: -1273.405 where: short stacking energy: -520.336 Base-Backbone interact. energy: -3.076 local terms energy: -570.208217 where: bonds (distance) C4'-P energy: -103.666 bonds (distance) P-C4' energy: -102.088 flat angles C4'-P-C4' energy: -123.891 flat angles P-C4'-P energy: -80.963 tors. eta vs tors. theta energy: -159.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1717.876931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.876931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.876931 (E_RNA) where: Base-Base interactions energy: -1181.873 where: short stacking energy: -494.513 Base-Backbone interact. energy: -4.020 local terms energy: -531.984172 where: bonds (distance) C4'-P energy: -89.859 bonds (distance) P-C4' energy: -103.953 flat angles C4'-P-C4' energy: -124.105 flat angles P-C4'-P energy: -75.216 tors. eta vs tors. theta energy: -138.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1483.500873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.500873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.500873 (E_RNA) where: Base-Base interactions energy: -961.050 where: short stacking energy: -415.010 Base-Backbone interact. energy: 4.761 local terms energy: -527.211943 where: bonds (distance) C4'-P energy: -101.181 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -79.377 tors. eta vs tors. theta energy: -115.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1244.224106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.224106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.224106 (E_RNA) where: Base-Base interactions energy: -809.645 where: short stacking energy: -375.340 Base-Backbone interact. energy: 0.838 local terms energy: -435.417018 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -83.226 flat angles C4'-P-C4' energy: -115.745 flat angles P-C4'-P energy: -68.480 tors. eta vs tors. theta energy: -88.013 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: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1088.771771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.771771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.771771 (E_RNA) where: Base-Base interactions energy: -664.095 where: short stacking energy: -309.177 Base-Backbone interact. energy: -0.714 local terms energy: -423.962477 where: bonds (distance) C4'-P energy: -98.079 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -95.795 flat angles P-C4'-P energy: -72.710 tors. eta vs tors. theta energy: -61.324 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: 339 Temperature: 1.300000 Total energy: -697.954598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.954598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.954598 (E_RNA) where: Base-Base interactions energy: -372.420 where: short stacking energy: -200.450 Base-Backbone interact. energy: -1.851 local terms energy: -323.683196 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -93.615 flat angles C4'-P-C4' energy: -87.455 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -9.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -625.968269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.968269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.968269 (E_RNA) where: Base-Base interactions energy: -285.757 where: short stacking energy: -155.613 Base-Backbone interact. energy: 3.038 local terms energy: -343.249606 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -104.585 flat angles C4'-P-C4' energy: -88.928 flat angles P-C4'-P energy: -55.901 tors. eta vs tors. theta energy: 3.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2083.176900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.176900 (E_RNA) where: Base-Base interactions energy: -1431.626 where: short stacking energy: -614.432 Base-Backbone interact. energy: -7.653 local terms energy: -643.898093 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -127.644 flat angles C4'-P-C4' energy: -134.660 flat angles P-C4'-P energy: -89.245 tors. eta vs tors. theta energy: -174.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2064.815443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.815443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.815443 (E_RNA) where: Base-Base interactions energy: -1443.165 where: short stacking energy: -594.491 Base-Backbone interact. energy: -4.182 local terms energy: -617.469033 where: bonds (distance) C4'-P energy: -101.338 bonds (distance) P-C4' energy: -121.235 flat angles C4'-P-C4' energy: -137.709 flat angles P-C4'-P energy: -85.264 tors. eta vs tors. theta energy: -171.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1896.616947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.616947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.616947 (E_RNA) where: Base-Base interactions energy: -1311.059 where: short stacking energy: -567.667 Base-Backbone interact. energy: -2.524 local terms energy: -583.033883 where: bonds (distance) C4'-P energy: -100.711 bonds (distance) P-C4' energy: -111.754 flat angles C4'-P-C4' energy: -130.304 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -166.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1874.146560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.146560 (E_RNA) where: Base-Base interactions energy: -1309.841 where: short stacking energy: -532.808 Base-Backbone interact. energy: -3.208 local terms energy: -561.097237 where: bonds (distance) C4'-P energy: -103.224 bonds (distance) P-C4' energy: -105.915 flat angles C4'-P-C4' energy: -124.111 flat angles P-C4'-P energy: -68.561 tors. eta vs tors. theta energy: -159.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1768.867914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.867914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.867914 (E_RNA) where: Base-Base interactions energy: -1182.410 where: short stacking energy: -516.622 Base-Backbone interact. energy: -1.642 local terms energy: -584.815757 where: bonds (distance) C4'-P energy: -115.026 bonds (distance) P-C4' energy: -106.507 flat angles C4'-P-C4' energy: -127.030 flat angles P-C4'-P energy: -82.168 tors. eta vs tors. theta energy: -154.084 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: 6, replica: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1533.138162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.138162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.138162 (E_RNA) where: Base-Base interactions energy: -1016.400 where: short stacking energy: -467.254 Base-Backbone interact. energy: 0.408 local terms energy: -517.147031 where: bonds (distance) C4'-P energy: -99.239 bonds (distance) P-C4' energy: -107.227 flat angles C4'-P-C4' energy: -120.165 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -127.162 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: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1235.735191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.735191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.735191 (E_RNA) where: Base-Base interactions energy: -793.623 where: short stacking energy: -372.037 Base-Backbone interact. energy: 0.278 local terms energy: -442.390332 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -105.404 flat angles C4'-P-C4' energy: -95.151 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -88.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1052.831709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.831709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.831709 (E_RNA) where: Base-Base interactions energy: -634.259 where: short stacking energy: -312.381 Base-Backbone interact. energy: 2.658 local terms energy: -421.230863 where: bonds (distance) C4'-P energy: -91.039 bonds (distance) P-C4' energy: -98.824 flat angles C4'-P-C4' energy: -95.879 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -57.194 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: 6 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -711.483799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.483799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.483799 (E_RNA) where: Base-Base interactions energy: -361.806 where: short stacking energy: -208.353 Base-Backbone interact. energy: 0.742 local terms energy: -350.420207 where: bonds (distance) C4'-P energy: -97.241 bonds (distance) P-C4' energy: -99.604 flat angles C4'-P-C4' energy: -100.708 flat angles P-C4'-P energy: -54.916 tors. eta vs tors. theta energy: 2.049 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: 10, replica: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -518.336015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.336015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.336015 (E_RNA) where: Base-Base interactions energy: -209.521 where: short stacking energy: -136.188 Base-Backbone interact. energy: 0.848 local terms energy: -309.663153 where: bonds (distance) C4'-P energy: -97.987 bonds (distance) P-C4' energy: -92.932 flat angles C4'-P-C4' energy: -77.405 flat angles P-C4'-P energy: -47.430 tors. eta vs tors. theta energy: 6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2086.612315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.612315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.612315 (E_RNA) where: Base-Base interactions energy: -1439.683 where: short stacking energy: -587.410 Base-Backbone interact. energy: -1.240 local terms energy: -645.689491 where: bonds (distance) C4'-P energy: -127.439 bonds (distance) P-C4' energy: -117.344 flat angles C4'-P-C4' energy: -134.652 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -171.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2057.407441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.407441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.407441 (E_RNA) where: Base-Base interactions energy: -1431.152 where: short stacking energy: -597.394 Base-Backbone interact. energy: -2.245 local terms energy: -624.010851 where: bonds (distance) C4'-P energy: -108.187 bonds (distance) P-C4' energy: -117.741 flat angles C4'-P-C4' energy: -134.934 flat angles P-C4'-P energy: -91.217 tors. eta vs tors. theta energy: -171.932 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: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1871.491370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.491370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.491370 (E_RNA) where: Base-Base interactions energy: -1287.097 where: short stacking energy: -556.881 Base-Backbone interact. energy: -2.086 local terms energy: -582.307991 where: bonds (distance) C4'-P energy: -97.876 bonds (distance) P-C4' energy: -115.228 flat angles C4'-P-C4' energy: -139.761 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -158.111 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: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1862.848155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.848155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.848155 (E_RNA) where: Base-Base interactions energy: -1272.179 where: short stacking energy: -526.488 Base-Backbone interact. energy: -3.591 local terms energy: -587.077979 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -105.971 flat angles C4'-P-C4' energy: -127.237 flat angles P-C4'-P energy: -72.052 tors. eta vs tors. theta energy: -170.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1716.975051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.975051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.975051 (E_RNA) where: Base-Base interactions energy: -1182.818 where: short stacking energy: -519.700 Base-Backbone interact. energy: 1.125 local terms energy: -535.282661 where: bonds (distance) C4'-P energy: -92.053 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -118.900 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -150.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1548.613480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.613480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.613480 (E_RNA) where: Base-Base interactions energy: -1000.559 where: short stacking energy: -455.485 Base-Backbone interact. energy: -3.599 local terms energy: -544.455568 where: bonds (distance) C4'-P energy: -112.247 bonds (distance) P-C4' energy: -118.834 flat angles C4'-P-C4' energy: -116.073 flat angles P-C4'-P energy: -76.715 tors. eta vs tors. theta energy: -120.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1247.865393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.865393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.865393 (E_RNA) where: Base-Base interactions energy: -782.601 where: short stacking energy: -347.067 Base-Backbone interact. energy: -2.375 local terms energy: -462.889078 where: bonds (distance) C4'-P energy: -98.424 bonds (distance) P-C4' energy: -104.483 flat angles C4'-P-C4' energy: -104.960 flat angles P-C4'-P energy: -82.693 tors. eta vs tors. theta energy: -72.329 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1054.272259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.272259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.272259 (E_RNA) where: Base-Base interactions energy: -630.775 where: short stacking energy: -280.395 Base-Backbone interact. energy: 2.313 local terms energy: -425.810924 where: bonds (distance) C4'-P energy: -95.360 bonds (distance) P-C4' energy: -124.535 flat angles C4'-P-C4' energy: -109.773 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -43.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -750.766725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.766725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.766725 (E_RNA) where: Base-Base interactions energy: -402.439 where: short stacking energy: -213.518 Base-Backbone interact. energy: -2.072 local terms energy: -346.256163 where: bonds (distance) C4'-P energy: -103.759 bonds (distance) P-C4' energy: -92.175 flat angles C4'-P-C4' energy: -90.910 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: 4.735 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: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -459.044532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.044532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.044532 (E_RNA) where: Base-Base interactions energy: -174.599 where: short stacking energy: -121.374 Base-Backbone interact. energy: 0.721 local terms energy: -285.165892 where: bonds (distance) C4'-P energy: -97.032 bonds (distance) P-C4' energy: -103.756 flat angles C4'-P-C4' energy: -72.197 flat angles P-C4'-P energy: -47.739 tors. eta vs tors. theta energy: 35.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2100.716625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.716625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.716625 (E_RNA) where: Base-Base interactions energy: -1441.497 where: short stacking energy: -641.747 Base-Backbone interact. energy: -4.848 local terms energy: -654.371385 where: bonds (distance) C4'-P energy: -106.518 bonds (distance) P-C4' energy: -133.521 flat angles C4'-P-C4' energy: -137.853 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -188.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2031.065986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.065986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.065986 (E_RNA) where: Base-Base interactions energy: -1373.745 where: short stacking energy: -587.575 Base-Backbone interact. energy: -3.845 local terms energy: -653.475403 where: bonds (distance) C4'-P energy: -113.742 bonds (distance) P-C4' energy: -120.309 flat angles C4'-P-C4' energy: -134.252 flat angles P-C4'-P energy: -104.715 tors. eta vs tors. theta energy: -180.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1938.372470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.372470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.372470 (E_RNA) where: Base-Base interactions energy: -1328.086 where: short stacking energy: -547.172 Base-Backbone interact. energy: -0.159 local terms energy: -610.127596 where: bonds (distance) C4'-P energy: -114.218 bonds (distance) P-C4' energy: -113.205 flat angles C4'-P-C4' energy: -120.718 flat angles P-C4'-P energy: -95.273 tors. eta vs tors. theta energy: -166.713 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: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1826.210326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.210326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.210326 (E_RNA) where: Base-Base interactions energy: -1248.997 where: short stacking energy: -543.692 Base-Backbone interact. energy: -2.106 local terms energy: -575.107636 where: bonds (distance) C4'-P energy: -110.873 bonds (distance) P-C4' energy: -102.614 flat angles C4'-P-C4' energy: -121.009 flat angles P-C4'-P energy: -81.657 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: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1719.580825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.580825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.580825 (E_RNA) where: Base-Base interactions energy: -1162.238 where: short stacking energy: -506.649 Base-Backbone interact. energy: 0.537 local terms energy: -557.879653 where: bonds (distance) C4'-P energy: -99.898 bonds (distance) P-C4' energy: -104.516 flat angles C4'-P-C4' energy: -127.455 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -147.964 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: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1531.412314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.412314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.412314 (E_RNA) where: Base-Base interactions energy: -1027.670 where: short stacking energy: -444.202 Base-Backbone interact. energy: -1.011 local terms energy: -502.730526 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -100.129 flat angles C4'-P-C4' energy: -120.629 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -124.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1280.783292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.783292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.783292 (E_RNA) where: Base-Base interactions energy: -819.646 where: short stacking energy: -357.287 Base-Backbone interact. energy: 0.044 local terms energy: -461.181321 where: bonds (distance) C4'-P energy: -99.937 bonds (distance) P-C4' energy: -103.391 flat angles C4'-P-C4' energy: -111.524 flat angles P-C4'-P energy: -61.769 tors. eta vs tors. theta energy: -84.561 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: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1028.087320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.087320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.087320 (E_RNA) where: Base-Base interactions energy: -621.533 where: short stacking energy: -290.805 Base-Backbone interact. energy: 0.355 local terms energy: -406.909067 where: bonds (distance) C4'-P energy: -85.418 bonds (distance) P-C4' energy: -117.494 flat angles C4'-P-C4' energy: -93.285 flat angles P-C4'-P energy: -69.001 tors. eta vs tors. theta energy: -41.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -758.907697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.907697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.907697 (E_RNA) where: Base-Base interactions energy: -384.046 where: short stacking energy: -188.999 Base-Backbone interact. energy: 2.622 local terms energy: -377.483753 where: bonds (distance) C4'-P energy: -96.704 bonds (distance) P-C4' energy: -101.217 flat angles C4'-P-C4' energy: -104.036 flat angles P-C4'-P energy: -67.416 tors. eta vs tors. theta energy: -8.111 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: 342 Temperature: 1.350000 Total energy: -508.638860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.638860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.638860 (E_RNA) where: Base-Base interactions energy: -180.774 where: short stacking energy: -146.089 Base-Backbone interact. energy: -1.566 local terms energy: -326.298054 where: bonds (distance) C4'-P energy: -98.306 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -101.480 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: 13.799 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: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2101.353763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.353763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.353763 (E_RNA) where: Base-Base interactions energy: -1459.984 where: short stacking energy: -610.717 Base-Backbone interact. energy: -2.915 local terms energy: -638.455385 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -113.795 flat angles C4'-P-C4' energy: -127.749 flat angles P-C4'-P energy: -85.472 tors. eta vs tors. theta energy: -192.144 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: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2001.196083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.196083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.196083 (E_RNA) where: Base-Base interactions energy: -1399.556 where: short stacking energy: -584.829 Base-Backbone interact. energy: 1.882 local terms energy: -603.522045 where: bonds (distance) C4'-P energy: -117.732 bonds (distance) P-C4' energy: -106.192 flat angles C4'-P-C4' energy: -136.835 flat angles P-C4'-P energy: -70.789 tors. eta vs tors. theta energy: -171.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1906.488117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.488117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.488117 (E_RNA) where: Base-Base interactions energy: -1310.747 where: short stacking energy: -544.619 Base-Backbone interact. energy: -0.030 local terms energy: -595.711524 where: bonds (distance) C4'-P energy: -121.150 bonds (distance) P-C4' energy: -110.017 flat angles C4'-P-C4' energy: -114.165 flat angles P-C4'-P energy: -83.578 tors. eta vs tors. theta energy: -166.802 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: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1759.254354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.254354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.254354 (E_RNA) where: Base-Base interactions energy: -1213.440 where: short stacking energy: -497.394 Base-Backbone interact. energy: -2.370 local terms energy: -543.443891 where: bonds (distance) C4'-P energy: -101.825 bonds (distance) P-C4' energy: -97.007 flat angles C4'-P-C4' energy: -123.318 flat angles P-C4'-P energy: -75.062 tors. eta vs tors. theta energy: -146.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1746.884646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.884646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.884646 (E_RNA) where: Base-Base interactions energy: -1211.278 where: short stacking energy: -519.028 Base-Backbone interact. energy: -1.676 local terms energy: -533.930645 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -105.653 flat angles C4'-P-C4' energy: -112.985 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -147.144 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: 343 Temperature: 1.150000 Total energy: -1566.341122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.341122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.341122 (E_RNA) where: Base-Base interactions energy: -1039.420 where: short stacking energy: -452.269 Base-Backbone interact. energy: -2.869 local terms energy: -524.052295 where: bonds (distance) C4'-P energy: -106.119 bonds (distance) P-C4' energy: -97.461 flat angles C4'-P-C4' energy: -113.815 flat angles P-C4'-P energy: -86.508 tors. eta vs tors. theta energy: -120.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1234.072832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.072832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.072832 (E_RNA) where: Base-Base interactions energy: -800.253 where: short stacking energy: -349.160 Base-Backbone interact. energy: -3.467 local terms energy: -430.352854 where: bonds (distance) C4'-P energy: -90.351 bonds (distance) P-C4' energy: -94.268 flat angles C4'-P-C4' energy: -103.109 flat angles P-C4'-P energy: -63.777 tors. eta vs tors. theta energy: -78.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1046.578559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.578559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.578559 (E_RNA) where: Base-Base interactions energy: -637.535 where: short stacking energy: -301.141 Base-Backbone interact. energy: -2.372 local terms energy: -406.672224 where: bonds (distance) C4'-P energy: -99.035 bonds (distance) P-C4' energy: -121.470 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -57.140 tors. eta vs tors. theta energy: -54.411 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: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -779.239038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.239038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.239038 (E_RNA) where: Base-Base interactions energy: -437.725 where: short stacking energy: -247.969 Base-Backbone interact. energy: 3.539 local terms energy: -345.053553 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -95.278 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -62.799 tors. eta vs tors. theta energy: -26.234 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: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -477.414411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.414411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.414411 (E_RNA) where: Base-Base interactions energy: -180.521 where: short stacking energy: -122.524 Base-Backbone interact. energy: -0.445 local terms energy: -296.448251 where: bonds (distance) C4'-P energy: -86.322 bonds (distance) P-C4' energy: -97.338 flat angles C4'-P-C4' energy: -92.712 flat angles P-C4'-P energy: -34.353 tors. eta vs tors. theta energy: 14.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2096.464990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.464990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.464990 (E_RNA) where: Base-Base interactions energy: -1451.569 where: short stacking energy: -627.054 Base-Backbone interact. energy: -2.158 local terms energy: -642.737577 where: bonds (distance) C4'-P energy: -113.360 bonds (distance) P-C4' energy: -120.073 flat angles C4'-P-C4' energy: -134.550 flat angles P-C4'-P energy: -93.994 tors. eta vs tors. theta energy: -180.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2041.545655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.545655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.545655 (E_RNA) where: Base-Base interactions energy: -1415.599 where: short stacking energy: -599.899 Base-Backbone interact. energy: -5.221 local terms energy: -620.725447 where: bonds (distance) C4'-P energy: -112.102 bonds (distance) P-C4' energy: -102.467 flat angles C4'-P-C4' energy: -128.822 flat angles P-C4'-P energy: -98.836 tors. eta vs tors. theta energy: -178.498 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: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1927.123854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.123854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.123854 (E_RNA) where: Base-Base interactions energy: -1332.032 where: short stacking energy: -558.375 Base-Backbone interact. energy: -0.491 local terms energy: -594.600514 where: bonds (distance) C4'-P energy: -112.871 bonds (distance) P-C4' energy: -114.346 flat angles C4'-P-C4' energy: -124.838 flat angles P-C4'-P energy: -76.026 tors. eta vs tors. theta energy: -166.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1770.584952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.584952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.584952 (E_RNA) where: Base-Base interactions energy: -1218.645 where: short stacking energy: -528.816 Base-Backbone interact. energy: -2.402 local terms energy: -549.538695 where: bonds (distance) C4'-P energy: -97.842 bonds (distance) P-C4' energy: -96.910 flat angles C4'-P-C4' energy: -120.320 flat angles P-C4'-P energy: -74.106 tors. eta vs tors. theta energy: -160.360 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: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1756.355581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.355581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.355581 (E_RNA) where: Base-Base interactions energy: -1192.347 where: short stacking energy: -502.834 Base-Backbone interact. energy: -2.373 local terms energy: -561.635798 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -111.307 flat angles C4'-P-C4' energy: -114.189 flat angles P-C4'-P energy: -84.369 tors. eta vs tors. theta energy: -140.279 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: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1555.454477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.454477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.454477 (E_RNA) where: Base-Base interactions energy: -1034.874 where: short stacking energy: -459.433 Base-Backbone interact. energy: -2.637 local terms energy: -517.943826 where: bonds (distance) C4'-P energy: -104.813 bonds (distance) P-C4' energy: -114.441 flat angles C4'-P-C4' energy: -104.019 flat angles P-C4'-P energy: -73.185 tors. eta vs tors. theta energy: -121.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1279.016922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.016922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.016922 (E_RNA) where: Base-Base interactions energy: -804.135 where: short stacking energy: -367.220 Base-Backbone interact. energy: 2.123 local terms energy: -477.005468 where: bonds (distance) C4'-P energy: -120.821 bonds (distance) P-C4' energy: -111.287 flat angles C4'-P-C4' energy: -95.085 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -86.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1079.822722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.822722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.822722 (E_RNA) where: Base-Base interactions energy: -668.105 where: short stacking energy: -305.101 Base-Backbone interact. energy: 2.535 local terms energy: -414.252750 where: bonds (distance) C4'-P energy: -76.875 bonds (distance) P-C4' energy: -110.821 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -73.260 tors. eta vs tors. theta energy: -55.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -826.596334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.596334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.596334 (E_RNA) where: Base-Base interactions energy: -493.688 where: short stacking energy: -235.975 Base-Backbone interact. energy: 0.722 local terms energy: -333.630356 where: bonds (distance) C4'-P energy: -79.124 bonds (distance) P-C4' energy: -107.741 flat angles C4'-P-C4' energy: -83.428 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -11.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -502.238813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.238813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.238813 (E_RNA) where: Base-Base interactions energy: -190.545 where: short stacking energy: -146.793 Base-Backbone interact. energy: 1.229 local terms energy: -312.921888 where: bonds (distance) C4'-P energy: -92.017 bonds (distance) P-C4' energy: -96.659 flat angles C4'-P-C4' energy: -81.842 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: 17.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2097.786304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.786304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.786304 (E_RNA) where: Base-Base interactions energy: -1434.387 where: short stacking energy: -633.200 Base-Backbone interact. energy: -1.866 local terms energy: -661.533034 where: bonds (distance) C4'-P energy: -126.787 bonds (distance) P-C4' energy: -124.153 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -92.183 tors. eta vs tors. theta energy: -178.128 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: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2025.346661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.346661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.346661 (E_RNA) where: Base-Base interactions energy: -1389.244 where: short stacking energy: -571.418 Base-Backbone interact. energy: -2.553 local terms energy: -633.549730 where: bonds (distance) C4'-P energy: -120.077 bonds (distance) P-C4' energy: -125.557 flat angles C4'-P-C4' energy: -127.956 flat angles P-C4'-P energy: -88.038 tors. eta vs tors. theta energy: -171.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1914.194822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.194822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.194822 (E_RNA) where: Base-Base interactions energy: -1334.063 where: short stacking energy: -544.532 Base-Backbone interact. energy: -1.650 local terms energy: -578.482185 where: bonds (distance) C4'-P energy: -113.860 bonds (distance) P-C4' energy: -113.341 flat angles C4'-P-C4' energy: -116.405 flat angles P-C4'-P energy: -82.404 tors. eta vs tors. theta energy: -152.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1826.264341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.264341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.264341 (E_RNA) where: Base-Base interactions energy: -1219.978 where: short stacking energy: -514.618 Base-Backbone interact. energy: -3.008 local terms energy: -603.278211 where: bonds (distance) C4'-P energy: -102.826 bonds (distance) P-C4' energy: -129.280 flat angles C4'-P-C4' energy: -126.509 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -160.274 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: 345 Temperature: 1.100000 Total energy: -1695.848988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.848988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.848988 (E_RNA) where: Base-Base interactions energy: -1146.028 where: short stacking energy: -518.650 Base-Backbone interact. energy: 0.544 local terms energy: -550.365612 where: bonds (distance) C4'-P energy: -104.642 bonds (distance) P-C4' energy: -97.389 flat angles C4'-P-C4' energy: -124.057 flat angles P-C4'-P energy: -85.336 tors. eta vs tors. theta energy: -138.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1452.090056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.090056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.090056 (E_RNA) where: Base-Base interactions energy: -942.130 where: short stacking energy: -447.018 Base-Backbone interact. energy: -0.435 local terms energy: -509.524629 where: bonds (distance) C4'-P energy: -98.657 bonds (distance) P-C4' energy: -108.907 flat angles C4'-P-C4' energy: -118.357 flat angles P-C4'-P energy: -70.466 tors. eta vs tors. theta energy: -113.138 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: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1275.247547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.247547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.247547 (E_RNA) where: Base-Base interactions energy: -833.190 where: short stacking energy: -372.086 Base-Backbone interact. energy: 9.999 local terms energy: -452.056050 where: bonds (distance) C4'-P energy: -113.338 bonds (distance) P-C4' energy: -98.686 flat angles C4'-P-C4' energy: -92.205 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: -81.885 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: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1135.424200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.424200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.424200 (E_RNA) where: Base-Base interactions energy: -722.572 where: short stacking energy: -339.632 Base-Backbone interact. energy: -1.154 local terms energy: -411.698210 where: bonds (distance) C4'-P energy: -83.587 bonds (distance) P-C4' energy: -96.919 flat angles C4'-P-C4' energy: -112.821 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -63.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -789.327387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.327387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.327387 (E_RNA) where: Base-Base interactions energy: -449.715 where: short stacking energy: -212.952 Base-Backbone interact. energy: 2.970 local terms energy: -342.582539 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -104.956 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -34.628 tors. eta vs tors. theta energy: 3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -510.969518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.969518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.969518 (E_RNA) where: Base-Base interactions energy: -206.204 where: short stacking energy: -146.780 Base-Backbone interact. energy: 1.278 local terms energy: -306.043800 where: bonds (distance) C4'-P energy: -87.940 bonds (distance) P-C4' energy: -95.557 flat angles C4'-P-C4' energy: -82.816 flat angles P-C4'-P energy: -49.273 tors. eta vs tors. theta energy: 9.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2113.157221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.157221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.157221 (E_RNA) where: Base-Base interactions energy: -1466.867 where: short stacking energy: -631.627 Base-Backbone interact. energy: -1.640 local terms energy: -644.650565 where: bonds (distance) C4'-P energy: -115.847 bonds (distance) P-C4' energy: -124.720 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -84.086 tors. eta vs tors. theta energy: -180.142 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2024.400371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.400371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.400371 (E_RNA) where: Base-Base interactions energy: -1397.035 where: short stacking energy: -596.134 Base-Backbone interact. energy: 0.592 local terms energy: -627.957589 where: bonds (distance) C4'-P energy: -111.931 bonds (distance) P-C4' energy: -118.940 flat angles C4'-P-C4' energy: -134.399 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -168.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1914.824708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.824708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.824708 (E_RNA) where: Base-Base interactions energy: -1328.269 where: short stacking energy: -549.553 Base-Backbone interact. energy: -2.183 local terms energy: -584.373465 where: bonds (distance) C4'-P energy: -110.438 bonds (distance) P-C4' energy: -122.003 flat angles C4'-P-C4' energy: -125.911 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -154.270 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: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1801.264457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.264457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.264457 (E_RNA) where: Base-Base interactions energy: -1230.468 where: short stacking energy: -525.409 Base-Backbone interact. energy: -2.773 local terms energy: -568.023455 where: bonds (distance) C4'-P energy: -101.939 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -128.972 flat angles P-C4'-P energy: -74.624 tors. eta vs tors. theta energy: -148.755 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1705.864982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.864982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.864982 (E_RNA) where: Base-Base interactions energy: -1153.280 where: short stacking energy: -489.856 Base-Backbone interact. energy: -2.293 local terms energy: -550.291486 where: bonds (distance) C4'-P energy: -100.561 bonds (distance) P-C4' energy: -119.268 flat angles C4'-P-C4' energy: -128.258 flat angles P-C4'-P energy: -66.319 tors. eta vs tors. theta energy: -135.885 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: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1451.290117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.290117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.290117 (E_RNA) where: Base-Base interactions energy: -981.799 where: short stacking energy: -423.392 Base-Backbone interact. energy: -2.135 local terms energy: -467.356146 where: bonds (distance) C4'-P energy: -90.418 bonds (distance) P-C4' energy: -91.049 flat angles C4'-P-C4' energy: -105.542 flat angles P-C4'-P energy: -66.088 tors. eta vs tors. theta energy: -114.259 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: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1213.216604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.216604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.216604 (E_RNA) where: Base-Base interactions energy: -765.806 where: short stacking energy: -332.466 Base-Backbone interact. energy: -1.341 local terms energy: -446.070136 where: bonds (distance) C4'-P energy: -91.471 bonds (distance) P-C4' energy: -99.620 flat angles C4'-P-C4' energy: -111.323 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -71.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1060.266813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.266813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.266813 (E_RNA) where: Base-Base interactions energy: -658.631 where: short stacking energy: -301.954 Base-Backbone interact. energy: -0.521 local terms energy: -401.114882 where: bonds (distance) C4'-P energy: -104.945 bonds (distance) P-C4' energy: -104.085 flat angles C4'-P-C4' energy: -103.322 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: -29.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -759.506267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.506267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.506267 (E_RNA) where: Base-Base interactions energy: -405.262 where: short stacking energy: -199.439 Base-Backbone interact. energy: -2.618 local terms energy: -351.625752 where: bonds (distance) C4'-P energy: -85.090 bonds (distance) P-C4' energy: -104.812 flat angles C4'-P-C4' energy: -87.980 flat angles P-C4'-P energy: -64.132 tors. eta vs tors. theta energy: -9.611 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: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -544.647907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.647907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.647907 (E_RNA) where: Base-Base interactions energy: -201.507 where: short stacking energy: -149.800 Base-Backbone interact. energy: -1.218 local terms energy: -341.922508 where: bonds (distance) C4'-P energy: -95.906 bonds (distance) P-C4' energy: -115.581 flat angles C4'-P-C4' energy: -99.484 flat angles P-C4'-P energy: -37.985 tors. eta vs tors. theta energy: 7.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2121.086459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.086459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.086459 (E_RNA) where: Base-Base interactions energy: -1509.936 where: short stacking energy: -627.638 Base-Backbone interact. energy: 2.704 local terms energy: -613.854569 where: bonds (distance) C4'-P energy: -100.342 bonds (distance) P-C4' energy: -111.516 flat angles C4'-P-C4' energy: -134.257 flat angles P-C4'-P energy: -87.235 tors. eta vs tors. theta energy: -180.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2020.753717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.753717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.753717 (E_RNA) where: Base-Base interactions energy: -1402.091 where: short stacking energy: -577.880 Base-Backbone interact. energy: -1.937 local terms energy: -616.725616 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -116.144 flat angles C4'-P-C4' energy: -135.172 flat angles P-C4'-P energy: -77.581 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: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1956.087385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.087385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.087385 (E_RNA) where: Base-Base interactions energy: -1357.511 where: short stacking energy: -558.209 Base-Backbone interact. energy: -3.706 local terms energy: -594.869713 where: bonds (distance) C4'-P energy: -106.846 bonds (distance) P-C4' energy: -118.433 flat angles C4'-P-C4' energy: -135.181 flat angles P-C4'-P energy: -69.603 tors. eta vs tors. theta energy: -164.806 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: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1821.546326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.546326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.546326 (E_RNA) where: Base-Base interactions energy: -1236.094 where: short stacking energy: -518.109 Base-Backbone interact. energy: -0.762 local terms energy: -584.690165 where: bonds (distance) C4'-P energy: -113.341 bonds (distance) P-C4' energy: -115.049 flat angles C4'-P-C4' energy: -119.966 flat angles P-C4'-P energy: -79.520 tors. eta vs tors. theta energy: -156.815 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: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1708.071893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.071893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.071893 (E_RNA) where: Base-Base interactions energy: -1160.628 where: short stacking energy: -525.314 Base-Backbone interact. energy: 0.180 local terms energy: -547.624446 where: bonds (distance) C4'-P energy: -119.415 bonds (distance) P-C4' energy: -88.757 flat angles C4'-P-C4' energy: -130.432 flat angles P-C4'-P energy: -61.382 tors. eta vs tors. theta energy: -147.638 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: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1440.930595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.930595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.930595 (E_RNA) where: Base-Base interactions energy: -965.069 where: short stacking energy: -448.618 Base-Backbone interact. energy: -1.506 local terms energy: -474.355088 where: bonds (distance) C4'-P energy: -88.390 bonds (distance) P-C4' energy: -109.823 flat angles C4'-P-C4' energy: -113.386 flat angles P-C4'-P energy: -64.829 tors. eta vs tors. theta energy: -97.928 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: 347 Temperature: 1.200000 Total energy: -1292.146811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.146811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.146811 (E_RNA) where: Base-Base interactions energy: -841.718 where: short stacking energy: -353.184 Base-Backbone interact. energy: -1.459 local terms energy: -448.969999 where: bonds (distance) C4'-P energy: -89.147 bonds (distance) P-C4' energy: -101.827 flat angles C4'-P-C4' energy: -103.094 flat angles P-C4'-P energy: -70.934 tors. eta vs tors. theta energy: -83.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1118.241947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.241947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.241947 (E_RNA) where: Base-Base interactions energy: -706.170 where: short stacking energy: -313.726 Base-Backbone interact. energy: -0.696 local terms energy: -411.375554 where: bonds (distance) C4'-P energy: -97.853 bonds (distance) P-C4' energy: -77.173 flat angles C4'-P-C4' energy: -92.315 flat angles P-C4'-P energy: -72.214 tors. eta vs tors. theta energy: -71.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -805.774705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.774705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.774705 (E_RNA) where: Base-Base interactions energy: -445.569 where: short stacking energy: -215.455 Base-Backbone interact. energy: -2.491 local terms energy: -357.715335 where: bonds (distance) C4'-P energy: -89.569 bonds (distance) P-C4' energy: -107.124 flat angles C4'-P-C4' energy: -90.282 flat angles P-C4'-P energy: -50.607 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: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -563.441074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.441074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.441074 (E_RNA) where: Base-Base interactions energy: -251.455 where: short stacking energy: -143.090 Base-Backbone interact. energy: -2.785 local terms energy: -309.200758 where: bonds (distance) C4'-P energy: -93.131 bonds (distance) P-C4' energy: -98.224 flat angles C4'-P-C4' energy: -85.159 flat angles P-C4'-P energy: -40.956 tors. eta vs tors. theta energy: 8.270 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: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2119.788247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.788247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.788247 (E_RNA) where: Base-Base interactions energy: -1467.416 where: short stacking energy: -630.992 Base-Backbone interact. energy: -5.078 local terms energy: -647.293539 where: bonds (distance) C4'-P energy: -118.192 bonds (distance) P-C4' energy: -118.114 flat angles C4'-P-C4' energy: -136.588 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -184.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2006.643634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.643634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.643634 (E_RNA) where: Base-Base interactions energy: -1392.367 where: short stacking energy: -578.595 Base-Backbone interact. energy: -4.094 local terms energy: -610.182221 where: bonds (distance) C4'-P energy: -121.506 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -120.167 flat angles P-C4'-P energy: -87.688 tors. eta vs tors. theta energy: -174.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1902.146130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.146130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.146130 (E_RNA) where: Base-Base interactions energy: -1292.251 where: short stacking energy: -541.387 Base-Backbone interact. energy: -4.190 local terms energy: -605.704851 where: bonds (distance) C4'-P energy: -111.046 bonds (distance) P-C4' energy: -102.512 flat angles C4'-P-C4' energy: -138.426 flat angles P-C4'-P energy: -88.233 tors. eta vs tors. theta energy: -165.488 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: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1816.436251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.436251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.436251 (E_RNA) where: Base-Base interactions energy: -1259.168 where: short stacking energy: -522.380 Base-Backbone interact. energy: -0.971 local terms energy: -556.297748 where: bonds (distance) C4'-P energy: -101.477 bonds (distance) P-C4' energy: -111.695 flat angles C4'-P-C4' energy: -122.600 flat angles P-C4'-P energy: -70.484 tors. eta vs tors. theta energy: -150.041 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: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1738.241406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.241406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.241406 (E_RNA) where: Base-Base interactions energy: -1174.979 where: short stacking energy: -503.054 Base-Backbone interact. energy: -1.306 local terms energy: -561.956170 where: bonds (distance) C4'-P energy: -94.825 bonds (distance) P-C4' energy: -120.811 flat angles C4'-P-C4' energy: -116.386 flat angles P-C4'-P energy: -82.886 tors. eta vs tors. theta energy: -147.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1398.318432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.318432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.318432 (E_RNA) where: Base-Base interactions energy: -915.286 where: short stacking energy: -380.875 Base-Backbone interact. energy: -1.024 local terms energy: -482.008240 where: bonds (distance) C4'-P energy: -106.603 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -95.451 flat angles P-C4'-P energy: -81.154 tors. eta vs tors. theta energy: -88.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1324.464661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.464661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.464661 (E_RNA) where: Base-Base interactions energy: -854.217 where: short stacking energy: -387.057 Base-Backbone interact. energy: -0.701 local terms energy: -469.546312 where: bonds (distance) C4'-P energy: -100.238 bonds (distance) P-C4' energy: -102.240 flat angles C4'-P-C4' energy: -113.082 flat angles P-C4'-P energy: -61.312 tors. eta vs tors. theta energy: -92.674 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: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1101.245542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.245542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.245542 (E_RNA) where: Base-Base interactions energy: -685.738 where: short stacking energy: -324.798 Base-Backbone interact. energy: 1.938 local terms energy: -417.445669 where: bonds (distance) C4'-P energy: -98.819 bonds (distance) P-C4' energy: -81.293 flat angles C4'-P-C4' energy: -100.672 flat angles P-C4'-P energy: -74.117 tors. eta vs tors. theta energy: -62.543 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: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -770.699995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.699995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.699995 (E_RNA) where: Base-Base interactions energy: -450.949 where: short stacking energy: -242.895 Base-Backbone interact. energy: 2.676 local terms energy: -322.426503 where: bonds (distance) C4'-P energy: -71.237 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -82.194 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: -8.860 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: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -531.541471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.541471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.541471 (E_RNA) where: Base-Base interactions energy: -235.113 where: short stacking energy: -153.889 Base-Backbone interact. energy: -2.827 local terms energy: -293.601371 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -92.587 flat angles C4'-P-C4' energy: -73.685 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: 6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2120.591279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.591279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.591279 (E_RNA) where: Base-Base interactions energy: -1500.630 where: short stacking energy: -631.524 Base-Backbone interact. energy: -0.035 local terms energy: -619.926955 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -120.922 flat angles P-C4'-P energy: -90.640 tors. eta vs tors. theta energy: -177.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1969.095971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.095971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.095971 (E_RNA) where: Base-Base interactions energy: -1352.135 where: short stacking energy: -561.877 Base-Backbone interact. energy: -3.021 local terms energy: -613.940053 where: bonds (distance) C4'-P energy: -99.464 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -136.470 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -166.781 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: 349 Temperature: 1.000000 Total energy: -1928.851619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.851619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.851619 (E_RNA) where: Base-Base interactions energy: -1353.095 where: short stacking energy: -540.269 Base-Backbone interact. energy: -1.586 local terms energy: -574.170210 where: bonds (distance) C4'-P energy: -108.822 bonds (distance) P-C4' energy: -116.549 flat angles C4'-P-C4' energy: -108.816 flat angles P-C4'-P energy: -80.258 tors. eta vs tors. theta energy: -159.724 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: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1894.250774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.250774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.250774 (E_RNA) where: Base-Base interactions energy: -1305.827 where: short stacking energy: -561.530 Base-Backbone interact. energy: -3.016 local terms energy: -585.407475 where: bonds (distance) C4'-P energy: -97.595 bonds (distance) P-C4' energy: -109.436 flat angles C4'-P-C4' energy: -128.134 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -167.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1696.708786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.708786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.708786 (E_RNA) where: Base-Base interactions energy: -1140.585 where: short stacking energy: -486.695 Base-Backbone interact. energy: -2.115 local terms energy: -554.008262 where: bonds (distance) C4'-P energy: -116.625 bonds (distance) P-C4' energy: -108.996 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -57.765 tors. eta vs tors. theta energy: -147.721 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: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1413.145152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.145152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.145152 (E_RNA) where: Base-Base interactions energy: -911.684 where: short stacking energy: -418.270 Base-Backbone interact. energy: 1.479 local terms energy: -502.940579 where: bonds (distance) C4'-P energy: -103.371 bonds (distance) P-C4' energy: -104.909 flat angles C4'-P-C4' energy: -124.658 flat angles P-C4'-P energy: -62.230 tors. eta vs tors. theta energy: -107.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1324.855939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.855939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.855939 (E_RNA) where: Base-Base interactions energy: -900.010 where: short stacking energy: -378.376 Base-Backbone interact. energy: -2.247 local terms energy: -422.598670 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -93.920 flat angles C4'-P-C4' energy: -92.330 flat angles P-C4'-P energy: -71.516 tors. eta vs tors. theta energy: -76.717 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: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1116.987464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.987464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.987464 (E_RNA) where: Base-Base interactions energy: -706.092 where: short stacking energy: -352.723 Base-Backbone interact. energy: -0.520 local terms energy: -410.374995 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -87.864 flat angles C4'-P-C4' energy: -102.701 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -65.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -813.525992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.525992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.525992 (E_RNA) where: Base-Base interactions energy: -446.960 where: short stacking energy: -242.813 Base-Backbone interact. energy: 1.378 local terms energy: -367.943633 where: bonds (distance) C4'-P energy: -101.179 bonds (distance) P-C4' energy: -100.647 flat angles C4'-P-C4' energy: -82.822 flat angles P-C4'-P energy: -54.046 tors. eta vs tors. theta energy: -29.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -498.280046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.280046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.280046 (E_RNA) where: Base-Base interactions energy: -158.810 where: short stacking energy: -125.481 Base-Backbone interact. energy: -0.822 local terms energy: -338.647995 where: bonds (distance) C4'-P energy: -94.902 bonds (distance) P-C4' energy: -95.992 flat angles C4'-P-C4' energy: -84.429 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: 1.475 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: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2143.011336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.011336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.011336 (E_RNA) where: Base-Base interactions energy: -1482.958 where: short stacking energy: -643.502 Base-Backbone interact. energy: -3.488 local terms energy: -656.565391 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -124.442 flat angles C4'-P-C4' energy: -142.207 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -182.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1990.126005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.126005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.126005 (E_RNA) where: Base-Base interactions energy: -1367.382 where: short stacking energy: -567.083 Base-Backbone interact. energy: 1.258 local terms energy: -624.001337 where: bonds (distance) C4'-P energy: -115.309 bonds (distance) P-C4' energy: -112.940 flat angles C4'-P-C4' energy: -135.806 flat angles P-C4'-P energy: -95.940 tors. eta vs tors. theta energy: -164.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1917.840286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.840286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.840286 (E_RNA) where: Base-Base interactions energy: -1344.544 where: short stacking energy: -567.200 Base-Backbone interact. energy: -4.550 local terms energy: -568.746391 where: bonds (distance) C4'-P energy: -102.434 bonds (distance) P-C4' energy: -103.589 flat angles C4'-P-C4' energy: -126.317 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -164.664 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: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1867.714564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.714564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.714564 (E_RNA) where: Base-Base interactions energy: -1259.798 where: short stacking energy: -543.854 Base-Backbone interact. energy: -1.662 local terms energy: -606.254643 where: bonds (distance) C4'-P energy: -103.354 bonds (distance) P-C4' energy: -105.868 flat angles C4'-P-C4' energy: -140.686 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -171.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1709.693179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.693179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.693179 (E_RNA) where: Base-Base interactions energy: -1147.002 where: short stacking energy: -504.616 Base-Backbone interact. energy: 0.087 local terms energy: -562.777949 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -121.859 flat angles P-C4'-P energy: -80.718 tors. eta vs tors. theta energy: -151.964 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: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1384.611758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.611758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.611758 (E_RNA) where: Base-Base interactions energy: -925.716 where: short stacking energy: -390.669 Base-Backbone interact. energy: 0.830 local terms energy: -459.726043 where: bonds (distance) C4'-P energy: -100.346 bonds (distance) P-C4' energy: -122.241 flat angles C4'-P-C4' energy: -93.151 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -84.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1327.982540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.982540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.982540 (E_RNA) where: Base-Base interactions energy: -875.998 where: short stacking energy: -366.245 Base-Backbone interact. energy: -0.219 local terms energy: -451.765175 where: bonds (distance) C4'-P energy: -97.331 bonds (distance) P-C4' energy: -94.342 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -61.303 tors. eta vs tors. theta energy: -84.578 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: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1063.764438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.764438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.764438 (E_RNA) where: Base-Base interactions energy: -640.292 where: short stacking energy: -277.843 Base-Backbone interact. energy: -1.265 local terms energy: -422.207105 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -94.327 flat angles C4'-P-C4' energy: -119.980 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -58.931 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: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -794.274660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.274660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.274660 (E_RNA) where: Base-Base interactions energy: -418.703 where: short stacking energy: -214.828 Base-Backbone interact. energy: -2.970 local terms energy: -372.601690 where: bonds (distance) C4'-P energy: -79.964 bonds (distance) P-C4' energy: -110.774 flat angles C4'-P-C4' energy: -99.598 flat angles P-C4'-P energy: -47.841 tors. eta vs tors. theta energy: -34.425 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: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -485.340211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.340211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.340211 (E_RNA) where: Base-Base interactions energy: -185.513 where: short stacking energy: -140.938 Base-Backbone interact. energy: -3.613 local terms energy: -296.214191 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -105.921 flat angles C4'-P-C4' energy: -82.727 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: 30.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2107.987447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.987447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.987447 (E_RNA) where: Base-Base interactions energy: -1453.377 where: short stacking energy: -606.387 Base-Backbone interact. energy: 1.897 local terms energy: -656.507768 where: bonds (distance) C4'-P energy: -115.990 bonds (distance) P-C4' energy: -120.626 flat angles C4'-P-C4' energy: -135.844 flat angles P-C4'-P energy: -99.623 tors. eta vs tors. theta energy: -184.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2046.333411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.333411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.333411 (E_RNA) where: Base-Base interactions energy: -1429.032 where: short stacking energy: -601.251 Base-Backbone interact. energy: -3.518 local terms energy: -613.783702 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -116.683 flat angles C4'-P-C4' energy: -131.310 flat angles P-C4'-P energy: -74.162 tors. eta vs tors. theta energy: -173.454 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: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1943.192577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.192577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.192577 (E_RNA) where: Base-Base interactions energy: -1338.839 where: short stacking energy: -562.868 Base-Backbone interact. energy: -3.246 local terms energy: -601.107154 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -105.359 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -88.501 tors. eta vs tors. theta energy: -161.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1850.222491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.222491 (E_RNA) where: Base-Base interactions energy: -1292.189 where: short stacking energy: -541.501 Base-Backbone interact. energy: -1.019 local terms energy: -557.013847 where: bonds (distance) C4'-P energy: -92.822 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -78.498 tors. eta vs tors. theta energy: -161.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1705.163842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.163842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.163842 (E_RNA) where: Base-Base interactions energy: -1139.792 where: short stacking energy: -518.032 Base-Backbone interact. energy: -2.020 local terms energy: -563.352181 where: bonds (distance) C4'-P energy: -95.344 bonds (distance) P-C4' energy: -111.458 flat angles C4'-P-C4' energy: -131.191 flat angles P-C4'-P energy: -68.451 tors. eta vs tors. theta energy: -156.908 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: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1366.922297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.922297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.922297 (E_RNA) where: Base-Base interactions energy: -899.093 where: short stacking energy: -397.327 Base-Backbone interact. energy: -0.112 local terms energy: -467.717475 where: bonds (distance) C4'-P energy: -90.477 bonds (distance) P-C4' energy: -104.296 flat angles C4'-P-C4' energy: -119.672 flat angles P-C4'-P energy: -65.842 tors. eta vs tors. theta energy: -87.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1359.271538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.271538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.271538 (E_RNA) where: Base-Base interactions energy: -882.413 where: short stacking energy: -389.127 Base-Backbone interact. energy: -2.159 local terms energy: -474.699218 where: bonds (distance) C4'-P energy: -97.221 bonds (distance) P-C4' energy: -107.477 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -71.467 tors. eta vs tors. theta energy: -95.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1123.360390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.360390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.360390 (E_RNA) where: Base-Base interactions energy: -739.287 where: short stacking energy: -317.374 Base-Backbone interact. energy: -3.279 local terms energy: -380.793923 where: bonds (distance) C4'-P energy: -91.040 bonds (distance) P-C4' energy: -92.897 flat angles C4'-P-C4' energy: -104.753 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -38.700 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: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -789.329769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.329769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.329769 (E_RNA) where: Base-Base interactions energy: -418.235 where: short stacking energy: -219.248 Base-Backbone interact. energy: -3.424 local terms energy: -367.670318 where: bonds (distance) C4'-P energy: -113.733 bonds (distance) P-C4' energy: -93.949 flat angles C4'-P-C4' energy: -76.442 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -14.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -496.044386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.044386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.044386 (E_RNA) where: Base-Base interactions energy: -202.191 where: short stacking energy: -155.734 Base-Backbone interact. energy: -2.325 local terms energy: -291.528628 where: bonds (distance) C4'-P energy: -82.507 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -87.117 flat angles P-C4'-P energy: -38.735 tors. eta vs tors. theta energy: 5.430 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: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2116.363737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.363737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.363737 (E_RNA) where: Base-Base interactions energy: -1491.605 where: short stacking energy: -626.609 Base-Backbone interact. energy: -0.942 local terms energy: -623.816053 where: bonds (distance) C4'-P energy: -121.695 bonds (distance) P-C4' energy: -101.139 flat angles C4'-P-C4' energy: -140.472 flat angles P-C4'-P energy: -80.216 tors. eta vs tors. theta energy: -180.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2036.478534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.478534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.478534 (E_RNA) where: Base-Base interactions energy: -1411.351 where: short stacking energy: -599.870 Base-Backbone interact. energy: -2.686 local terms energy: -622.441607 where: bonds (distance) C4'-P energy: -110.537 bonds (distance) P-C4' energy: -98.760 flat angles C4'-P-C4' energy: -140.125 flat angles P-C4'-P energy: -93.528 tors. eta vs tors. theta energy: -179.491 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: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1944.815403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.815403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.815403 (E_RNA) where: Base-Base interactions energy: -1348.114 where: short stacking energy: -559.492 Base-Backbone interact. energy: -2.675 local terms energy: -594.027308 where: bonds (distance) C4'-P energy: -112.287 bonds (distance) P-C4' energy: -118.636 flat angles C4'-P-C4' energy: -118.433 flat angles P-C4'-P energy: -79.440 tors. eta vs tors. theta energy: -165.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1855.545791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.545791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.545791 (E_RNA) where: Base-Base interactions energy: -1257.819 where: short stacking energy: -552.876 Base-Backbone interact. energy: -1.338 local terms energy: -596.389415 where: bonds (distance) C4'-P energy: -123.306 bonds (distance) P-C4' energy: -101.555 flat angles C4'-P-C4' energy: -120.589 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -171.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1693.311191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.311191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.311191 (E_RNA) where: Base-Base interactions energy: -1161.495 where: short stacking energy: -479.382 Base-Backbone interact. energy: -3.193 local terms energy: -528.623732 where: bonds (distance) C4'-P energy: -107.237 bonds (distance) P-C4' energy: -92.064 flat angles C4'-P-C4' energy: -108.481 flat angles P-C4'-P energy: -81.041 tors. eta vs tors. theta energy: -139.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1429.014457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.014457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.014457 (E_RNA) where: Base-Base interactions energy: -957.113 where: short stacking energy: -434.769 Base-Backbone interact. energy: 0.882 local terms energy: -472.784169 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -90.139 flat angles C4'-P-C4' energy: -113.464 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -110.204 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1413.239312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.239312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.239312 (E_RNA) where: Base-Base interactions energy: -948.183 where: short stacking energy: -417.299 Base-Backbone interact. energy: -2.093 local terms energy: -462.962695 where: bonds (distance) C4'-P energy: -97.875 bonds (distance) P-C4' energy: -78.505 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -75.803 tors. eta vs tors. theta energy: -111.440 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: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1059.506041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.506041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.506041 (E_RNA) where: Base-Base interactions energy: -661.459 where: short stacking energy: -298.194 Base-Backbone interact. energy: 2.140 local terms energy: -400.187049 where: bonds (distance) C4'-P energy: -94.676 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -96.637 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -59.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -810.928546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.928546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.928546 (E_RNA) where: Base-Base interactions energy: -468.067 where: short stacking energy: -225.425 Base-Backbone interact. energy: -2.123 local terms energy: -340.738778 where: bonds (distance) C4'-P energy: -88.129 bonds (distance) P-C4' energy: -107.622 flat angles C4'-P-C4' energy: -89.426 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -489.007266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.007266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.007266 (E_RNA) where: Base-Base interactions energy: -191.137 where: short stacking energy: -164.602 Base-Backbone interact. energy: 3.688 local terms energy: -301.558371 where: bonds (distance) C4'-P energy: -91.704 bonds (distance) P-C4' energy: -87.368 flat angles C4'-P-C4' energy: -83.517 flat angles P-C4'-P energy: -44.164 tors. eta vs tors. theta energy: 5.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2088.963202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.963202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.963202 (E_RNA) where: Base-Base interactions energy: -1449.010 where: short stacking energy: -634.232 Base-Backbone interact. energy: 1.607 local terms energy: -641.560313 where: bonds (distance) C4'-P energy: -113.861 bonds (distance) P-C4' energy: -116.809 flat angles C4'-P-C4' energy: -138.016 flat angles P-C4'-P energy: -91.099 tors. eta vs tors. theta energy: -181.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2029.759155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.759155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.759155 (E_RNA) where: Base-Base interactions energy: -1412.140 where: short stacking energy: -580.910 Base-Backbone interact. energy: 3.178 local terms energy: -620.797577 where: bonds (distance) C4'-P energy: -109.062 bonds (distance) P-C4' energy: -113.773 flat angles C4'-P-C4' energy: -134.684 flat angles P-C4'-P energy: -91.356 tors. eta vs tors. theta energy: -171.923 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: 353 Temperature: 1.000000 Total energy: -1916.109530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.109530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.109530 (E_RNA) where: Base-Base interactions energy: -1301.463 where: short stacking energy: -552.853 Base-Backbone interact. energy: -4.885 local terms energy: -609.761562 where: bonds (distance) C4'-P energy: -121.507 bonds (distance) P-C4' energy: -114.629 flat angles C4'-P-C4' energy: -132.442 flat angles P-C4'-P energy: -73.439 tors. eta vs tors. theta energy: -167.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1816.229065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.229065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.229065 (E_RNA) where: Base-Base interactions energy: -1228.953 where: short stacking energy: -546.188 Base-Backbone interact. energy: -1.273 local terms energy: -586.002462 where: bonds (distance) C4'-P energy: -89.768 bonds (distance) P-C4' energy: -115.758 flat angles C4'-P-C4' energy: -128.800 flat angles P-C4'-P energy: -92.401 tors. eta vs tors. theta energy: -159.276 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: 5, replica: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1770.572580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.572580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.572580 (E_RNA) where: Base-Base interactions energy: -1206.781 where: short stacking energy: -518.726 Base-Backbone interact. energy: -1.138 local terms energy: -562.653842 where: bonds (distance) C4'-P energy: -114.251 bonds (distance) P-C4' energy: -104.821 flat angles C4'-P-C4' energy: -118.267 flat angles P-C4'-P energy: -75.300 tors. eta vs tors. theta energy: -150.015 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: 353 Temperature: 1.150000 Total energy: -1499.104891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.104891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.104891 (E_RNA) where: Base-Base interactions energy: -989.491 where: short stacking energy: -461.110 Base-Backbone interact. energy: -3.394 local terms energy: -506.220022 where: bonds (distance) C4'-P energy: -112.901 bonds (distance) P-C4' energy: -91.694 flat angles C4'-P-C4' energy: -117.158 flat angles P-C4'-P energy: -76.474 tors. eta vs tors. theta energy: -107.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1374.162850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.162850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.162850 (E_RNA) where: Base-Base interactions energy: -897.462 where: short stacking energy: -389.829 Base-Backbone interact. energy: -0.495 local terms energy: -476.205998 where: bonds (distance) C4'-P energy: -93.245 bonds (distance) P-C4' energy: -108.258 flat angles C4'-P-C4' energy: -107.373 flat angles P-C4'-P energy: -71.529 tors. eta vs tors. theta energy: -95.801 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: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1035.479143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.479143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.479143 (E_RNA) where: Base-Base interactions energy: -625.396 where: short stacking energy: -296.721 Base-Backbone interact. energy: -1.951 local terms energy: -408.132451 where: bonds (distance) C4'-P energy: -84.812 bonds (distance) P-C4' energy: -100.436 flat angles C4'-P-C4' energy: -109.522 flat angles P-C4'-P energy: -62.374 tors. eta vs tors. theta energy: -50.988 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: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -810.071795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.071795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.071795 (E_RNA) where: Base-Base interactions energy: -438.598 where: short stacking energy: -208.878 Base-Backbone interact. energy: 2.468 local terms energy: -373.942216 where: bonds (distance) C4'-P energy: -103.025 bonds (distance) P-C4' energy: -100.988 flat angles C4'-P-C4' energy: -94.371 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -17.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -460.690705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.690705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.690705 (E_RNA) where: Base-Base interactions energy: -186.955 where: short stacking energy: -163.288 Base-Backbone interact. energy: 2.114 local terms energy: -275.849346 where: bonds (distance) C4'-P energy: -75.291 bonds (distance) P-C4' energy: -118.897 flat angles C4'-P-C4' energy: -61.180 flat angles P-C4'-P energy: -41.559 tors. eta vs tors. theta energy: 21.078 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: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2098.080457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.080457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.080457 (E_RNA) where: Base-Base interactions energy: -1472.568 where: short stacking energy: -613.842 Base-Backbone interact. energy: -4.272 local terms energy: -621.240214 where: bonds (distance) C4'-P energy: -114.668 bonds (distance) P-C4' energy: -111.369 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -82.782 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: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2052.839491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.839491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.839491 (E_RNA) where: Base-Base interactions energy: -1403.911 where: short stacking energy: -619.573 Base-Backbone interact. energy: -3.125 local terms energy: -645.802967 where: bonds (distance) C4'-P energy: -116.061 bonds (distance) P-C4' energy: -121.359 flat angles C4'-P-C4' energy: -129.811 flat angles P-C4'-P energy: -95.693 tors. eta vs tors. theta energy: -182.879 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: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1913.203892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.203892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.203892 (E_RNA) where: Base-Base interactions energy: -1298.971 where: short stacking energy: -552.026 Base-Backbone interact. energy: -1.806 local terms energy: -612.427280 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -119.972 flat angles C4'-P-C4' energy: -136.749 flat angles P-C4'-P energy: -84.765 tors. eta vs tors. theta energy: -154.844 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: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1790.155185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.155185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.155185 (E_RNA) where: Base-Base interactions energy: -1196.241 where: short stacking energy: -510.668 Base-Backbone interact. energy: -1.507 local terms energy: -592.407781 where: bonds (distance) C4'-P energy: -113.924 bonds (distance) P-C4' energy: -105.678 flat angles C4'-P-C4' energy: -123.578 flat angles P-C4'-P energy: -88.985 tors. eta vs tors. theta energy: -160.244 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: 5, replica: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1749.169935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.169935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.169935 (E_RNA) where: Base-Base interactions energy: -1210.251 where: short stacking energy: -521.250 Base-Backbone interact. energy: -3.401 local terms energy: -535.518791 where: bonds (distance) C4'-P energy: -90.944 bonds (distance) P-C4' energy: -93.090 flat angles C4'-P-C4' energy: -112.093 flat angles P-C4'-P energy: -87.986 tors. eta vs tors. theta energy: -151.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1436.270187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.270187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.270187 (E_RNA) where: Base-Base interactions energy: -930.115 where: short stacking energy: -407.376 Base-Backbone interact. energy: 2.735 local terms energy: -508.890371 where: bonds (distance) C4'-P energy: -98.922 bonds (distance) P-C4' energy: -107.290 flat angles C4'-P-C4' energy: -119.838 flat angles P-C4'-P energy: -76.503 tors. eta vs tors. theta energy: -106.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1322.647628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.647628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.647628 (E_RNA) where: Base-Base interactions energy: -856.987 where: short stacking energy: -369.861 Base-Backbone interact. energy: -1.935 local terms energy: -463.726097 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -94.727 flat angles C4'-P-C4' energy: -105.390 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -79.906 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: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1055.734944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.734944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.734944 (E_RNA) where: Base-Base interactions energy: -661.243 where: short stacking energy: -304.893 Base-Backbone interact. energy: 6.521 local terms energy: -401.013090 where: bonds (distance) C4'-P energy: -97.651 bonds (distance) P-C4' energy: -94.855 flat angles C4'-P-C4' energy: -113.800 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -42.845 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: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -786.283388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.283388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.283388 (E_RNA) where: Base-Base interactions energy: -456.384 where: short stacking energy: -248.768 Base-Backbone interact. energy: 3.655 local terms energy: -333.554172 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -77.840 flat angles C4'-P-C4' energy: -77.209 flat angles P-C4'-P energy: -47.529 tors. eta vs tors. theta energy: -31.769 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: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -472.640230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.640230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.640230 (E_RNA) where: Base-Base interactions energy: -160.878 where: short stacking energy: -128.531 Base-Backbone interact. energy: 3.264 local terms energy: -315.025400 where: bonds (distance) C4'-P energy: -95.840 bonds (distance) P-C4' energy: -118.169 flat angles C4'-P-C4' energy: -70.360 flat angles P-C4'-P energy: -53.989 tors. eta vs tors. theta energy: 23.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2081.403449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.403449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.403449 (E_RNA) where: Base-Base interactions energy: -1428.979 where: short stacking energy: -569.998 Base-Backbone interact. energy: -2.235 local terms energy: -650.189727 where: bonds (distance) C4'-P energy: -127.922 bonds (distance) P-C4' energy: -120.762 flat angles C4'-P-C4' energy: -136.049 flat angles P-C4'-P energy: -91.283 tors. eta vs tors. theta energy: -174.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2027.436295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.436295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.436295 (E_RNA) where: Base-Base interactions energy: -1399.365 where: short stacking energy: -602.217 Base-Backbone interact. energy: -0.599 local terms energy: -627.472543 where: bonds (distance) C4'-P energy: -116.743 bonds (distance) P-C4' energy: -112.614 flat angles C4'-P-C4' energy: -128.797 flat angles P-C4'-P energy: -97.704 tors. eta vs tors. theta energy: -171.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1943.186586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.186586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.186586 (E_RNA) where: Base-Base interactions energy: -1321.571 where: short stacking energy: -549.039 Base-Backbone interact. energy: -3.739 local terms energy: -617.877037 where: bonds (distance) C4'-P energy: -118.947 bonds (distance) P-C4' energy: -128.248 flat angles C4'-P-C4' energy: -126.799 flat angles P-C4'-P energy: -93.482 tors. eta vs tors. theta energy: -150.401 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: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1805.734510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.734510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.734510 (E_RNA) where: Base-Base interactions energy: -1240.002 where: short stacking energy: -546.208 Base-Backbone interact. energy: -0.903 local terms energy: -564.829705 where: bonds (distance) C4'-P energy: -95.801 bonds (distance) P-C4' energy: -116.282 flat angles C4'-P-C4' energy: -122.580 flat angles P-C4'-P energy: -73.880 tors. eta vs tors. theta energy: -156.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1780.350939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.350939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.350939 (E_RNA) where: Base-Base interactions energy: -1198.133 where: short stacking energy: -510.135 Base-Backbone interact. energy: -2.227 local terms energy: -579.990118 where: bonds (distance) C4'-P energy: -128.617 bonds (distance) P-C4' energy: -97.608 flat angles C4'-P-C4' energy: -120.187 flat angles P-C4'-P energy: -80.022 tors. eta vs tors. theta energy: -153.556 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: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1539.167268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.167268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.167268 (E_RNA) where: Base-Base interactions energy: -1022.759 where: short stacking energy: -459.882 Base-Backbone interact. energy: -4.591 local terms energy: -511.817589 where: bonds (distance) C4'-P energy: -94.471 bonds (distance) P-C4' energy: -119.136 flat angles C4'-P-C4' energy: -112.399 flat angles P-C4'-P energy: -74.411 tors. eta vs tors. theta energy: -111.400 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: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1383.037356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.037356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.037356 (E_RNA) where: Base-Base interactions energy: -914.684 where: short stacking energy: -388.038 Base-Backbone interact. energy: -1.805 local terms energy: -466.547976 where: bonds (distance) C4'-P energy: -91.676 bonds (distance) P-C4' energy: -108.614 flat angles C4'-P-C4' energy: -104.021 flat angles P-C4'-P energy: -77.739 tors. eta vs tors. theta energy: -84.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1080.374876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.374876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.374876 (E_RNA) where: Base-Base interactions energy: -683.719 where: short stacking energy: -323.810 Base-Backbone interact. energy: -0.549 local terms energy: -396.107360 where: bonds (distance) C4'-P energy: -96.181 bonds (distance) P-C4' energy: -111.148 flat angles C4'-P-C4' energy: -80.702 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -48.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -788.106093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.106093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.106093 (E_RNA) where: Base-Base interactions energy: -446.398 where: short stacking energy: -213.713 Base-Backbone interact. energy: 1.601 local terms energy: -343.309311 where: bonds (distance) C4'-P energy: -98.770 bonds (distance) P-C4' energy: -105.419 flat angles C4'-P-C4' energy: -75.084 flat angles P-C4'-P energy: -53.599 tors. eta vs tors. theta energy: -10.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -486.963682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.963682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.963682 (E_RNA) where: Base-Base interactions energy: -204.856 where: short stacking energy: -139.409 Base-Backbone interact. energy: -1.536 local terms energy: -280.571020 where: bonds (distance) C4'-P energy: -91.302 bonds (distance) P-C4' energy: -86.695 flat angles C4'-P-C4' energy: -89.696 flat angles P-C4'-P energy: -40.184 tors. eta vs tors. theta energy: 27.305 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: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2096.868597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.868597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.868597 (E_RNA) where: Base-Base interactions energy: -1439.615 where: short stacking energy: -594.131 Base-Backbone interact. energy: -0.563 local terms energy: -656.691228 where: bonds (distance) C4'-P energy: -114.915 bonds (distance) P-C4' energy: -126.374 flat angles C4'-P-C4' energy: -143.423 flat angles P-C4'-P energy: -94.714 tors. eta vs tors. theta energy: -177.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2022.096783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.096783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.096783 (E_RNA) where: Base-Base interactions energy: -1409.436 where: short stacking energy: -596.031 Base-Backbone interact. energy: -1.723 local terms energy: -610.937457 where: bonds (distance) C4'-P energy: -103.532 bonds (distance) P-C4' energy: -116.098 flat angles C4'-P-C4' energy: -133.851 flat angles P-C4'-P energy: -87.780 tors. eta vs tors. theta energy: -169.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1946.583293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.583293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.583293 (E_RNA) where: Base-Base interactions energy: -1336.788 where: short stacking energy: -548.765 Base-Backbone interact. energy: 2.086 local terms energy: -611.880971 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -118.142 flat angles C4'-P-C4' energy: -129.846 flat angles P-C4'-P energy: -89.365 tors. eta vs tors. theta energy: -162.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1786.156423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.156423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.156423 (E_RNA) where: Base-Base interactions energy: -1210.446 where: short stacking energy: -519.861 Base-Backbone interact. energy: -2.595 local terms energy: -573.116204 where: bonds (distance) C4'-P energy: -105.112 bonds (distance) P-C4' energy: -111.740 flat angles C4'-P-C4' energy: -128.069 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -151.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1767.609604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.609604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.609604 (E_RNA) where: Base-Base interactions energy: -1210.386 where: short stacking energy: -512.394 Base-Backbone interact. energy: -0.455 local terms energy: -556.769317 where: bonds (distance) C4'-P energy: -94.311 bonds (distance) P-C4' energy: -105.474 flat angles C4'-P-C4' energy: -125.990 flat angles P-C4'-P energy: -85.623 tors. eta vs tors. theta energy: -145.371 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: 356 Temperature: 1.150000 Total energy: -1554.961126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.961126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.961126 (E_RNA) where: Base-Base interactions energy: -1035.717 where: short stacking energy: -453.671 Base-Backbone interact. energy: 7.389 local terms energy: -526.632910 where: bonds (distance) C4'-P energy: -111.927 bonds (distance) P-C4' energy: -107.771 flat angles C4'-P-C4' energy: -120.344 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -119.817 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: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1419.425598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.425598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.425598 (E_RNA) where: Base-Base interactions energy: -948.366 where: short stacking energy: -434.458 Base-Backbone interact. energy: 5.162 local terms energy: -476.221164 where: bonds (distance) C4'-P energy: -105.219 bonds (distance) P-C4' energy: -99.519 flat angles C4'-P-C4' energy: -101.858 flat angles P-C4'-P energy: -60.096 tors. eta vs tors. theta energy: -109.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1045.181242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.181242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.181242 (E_RNA) where: Base-Base interactions energy: -646.643 where: short stacking energy: -302.316 Base-Backbone interact. energy: 0.370 local terms energy: -398.908658 where: bonds (distance) C4'-P energy: -94.492 bonds (distance) P-C4' energy: -102.007 flat angles C4'-P-C4' energy: -102.929 flat angles P-C4'-P energy: -56.018 tors. eta vs tors. theta energy: -43.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -833.456219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.456219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.456219 (E_RNA) where: Base-Base interactions energy: -481.750 where: short stacking energy: -237.392 Base-Backbone interact. energy: -1.221 local terms energy: -350.485394 where: bonds (distance) C4'-P energy: -89.515 bonds (distance) P-C4' energy: -92.651 flat angles C4'-P-C4' energy: -90.652 flat angles P-C4'-P energy: -50.781 tors. eta vs tors. theta energy: -26.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -517.169525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.169525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.169525 (E_RNA) where: Base-Base interactions energy: -264.811 where: short stacking energy: -147.073 Base-Backbone interact. energy: 4.997 local terms energy: -257.355746 where: bonds (distance) C4'-P energy: -79.044 bonds (distance) P-C4' energy: -84.794 flat angles C4'-P-C4' energy: -71.672 flat angles P-C4'-P energy: -42.277 tors. eta vs tors. theta energy: 20.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2075.714558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.714558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.714558 (E_RNA) where: Base-Base interactions energy: -1443.053 where: short stacking energy: -601.795 Base-Backbone interact. energy: -4.547 local terms energy: -628.114489 where: bonds (distance) C4'-P energy: -103.469 bonds (distance) P-C4' energy: -129.152 flat angles C4'-P-C4' energy: -138.978 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -173.066 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: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2018.080281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.080281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.080281 (E_RNA) where: Base-Base interactions energy: -1416.453 where: short stacking energy: -611.628 Base-Backbone interact. energy: -1.935 local terms energy: -599.692283 where: bonds (distance) C4'-P energy: -100.277 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -126.607 flat angles P-C4'-P energy: -88.895 tors. eta vs tors. theta energy: -168.371 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: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1887.470733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.470733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.470733 (E_RNA) where: Base-Base interactions energy: -1312.328 where: short stacking energy: -557.129 Base-Backbone interact. energy: -1.051 local terms energy: -574.091079 where: bonds (distance) C4'-P energy: -106.604 bonds (distance) P-C4' energy: -112.086 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -88.752 tors. eta vs tors. theta energy: -149.759 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: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1855.419880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.419880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.419880 (E_RNA) where: Base-Base interactions energy: -1267.039 where: short stacking energy: -564.189 Base-Backbone interact. energy: -3.050 local terms energy: -585.330863 where: bonds (distance) C4'-P energy: -103.824 bonds (distance) P-C4' energy: -111.298 flat angles C4'-P-C4' energy: -110.307 flat angles P-C4'-P energy: -87.411 tors. eta vs tors. theta energy: -172.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1769.721023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.721023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.721023 (E_RNA) where: Base-Base interactions energy: -1163.148 where: short stacking energy: -500.817 Base-Backbone interact. energy: -1.558 local terms energy: -605.015102 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -109.402 flat angles C4'-P-C4' energy: -133.683 flat angles P-C4'-P energy: -87.944 tors. eta vs tors. theta energy: -154.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1350.658194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.658194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.658194 (E_RNA) where: Base-Base interactions energy: -891.570 where: short stacking energy: -370.436 Base-Backbone interact. energy: -2.270 local terms energy: -456.818476 where: bonds (distance) C4'-P energy: -84.121 bonds (distance) P-C4' energy: -99.041 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -83.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1456.151779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.151779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.151779 (E_RNA) where: Base-Base interactions energy: -966.576 where: short stacking energy: -440.453 Base-Backbone interact. energy: -1.566 local terms energy: -488.009910 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -104.961 flat angles C4'-P-C4' energy: -103.030 flat angles P-C4'-P energy: -58.577 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: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1062.140217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.140217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.140217 (E_RNA) where: Base-Base interactions energy: -652.961 where: short stacking energy: -308.648 Base-Backbone interact. energy: -4.452 local terms energy: -404.726604 where: bonds (distance) C4'-P energy: -95.578 bonds (distance) P-C4' energy: -102.117 flat angles C4'-P-C4' energy: -105.027 flat angles P-C4'-P energy: -53.327 tors. eta vs tors. theta energy: -48.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -810.607880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.607880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.607880 (E_RNA) where: Base-Base interactions energy: -437.084 where: short stacking energy: -229.119 Base-Backbone interact. energy: -2.901 local terms energy: -370.621998 where: bonds (distance) C4'-P energy: -98.280 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -100.287 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: -19.828 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: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -521.657043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.657043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.657043 (E_RNA) where: Base-Base interactions energy: -203.216 where: short stacking energy: -150.806 Base-Backbone interact. energy: 2.136 local terms energy: -320.577463 where: bonds (distance) C4'-P energy: -90.946 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -98.356 flat angles P-C4'-P energy: -34.989 tors. eta vs tors. theta energy: 10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2101.943578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.943578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.943578 (E_RNA) where: Base-Base interactions energy: -1457.622 where: short stacking energy: -596.100 Base-Backbone interact. energy: -1.490 local terms energy: -642.831615 where: bonds (distance) C4'-P energy: -118.355 bonds (distance) P-C4' energy: -125.567 flat angles C4'-P-C4' energy: -143.735 flat angles P-C4'-P energy: -85.658 tors. eta vs tors. theta energy: -169.516 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: 358 Temperature: 0.950000 Total energy: -2045.199625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.199625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.199625 (E_RNA) where: Base-Base interactions energy: -1400.624 where: short stacking energy: -586.584 Base-Backbone interact. energy: -2.637 local terms energy: -641.938993 where: bonds (distance) C4'-P energy: -117.536 bonds (distance) P-C4' energy: -126.123 flat angles C4'-P-C4' energy: -139.570 flat angles P-C4'-P energy: -92.344 tors. eta vs tors. theta energy: -166.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1900.732779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.732779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.732779 (E_RNA) where: Base-Base interactions energy: -1303.453 where: short stacking energy: -528.403 Base-Backbone interact. energy: -5.246 local terms energy: -592.034376 where: bonds (distance) C4'-P energy: -109.570 bonds (distance) P-C4' energy: -115.858 flat angles C4'-P-C4' energy: -128.432 flat angles P-C4'-P energy: -83.683 tors. eta vs tors. theta energy: -154.491 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: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1882.540082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.540082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.540082 (E_RNA) where: Base-Base interactions energy: -1313.085 where: short stacking energy: -575.376 Base-Backbone interact. energy: -2.513 local terms energy: -566.942709 where: bonds (distance) C4'-P energy: -90.217 bonds (distance) P-C4' energy: -102.334 flat angles C4'-P-C4' energy: -121.723 flat angles P-C4'-P energy: -76.977 tors. eta vs tors. theta energy: -175.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1704.303300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.303300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.303300 (E_RNA) where: Base-Base interactions energy: -1163.127 where: short stacking energy: -504.648 Base-Backbone interact. energy: -0.984 local terms energy: -540.192014 where: bonds (distance) C4'-P energy: -95.506 bonds (distance) P-C4' energy: -110.512 flat angles C4'-P-C4' energy: -123.084 flat angles P-C4'-P energy: -70.113 tors. eta vs tors. theta energy: -140.977 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: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1406.284013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.284013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.284013 (E_RNA) where: Base-Base interactions energy: -909.461 where: short stacking energy: -401.319 Base-Backbone interact. energy: -1.126 local terms energy: -495.696569 where: bonds (distance) C4'-P energy: -93.407 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -111.318 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -114.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1482.847140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.847140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.847140 (E_RNA) where: Base-Base interactions energy: -987.775 where: short stacking energy: -426.534 Base-Backbone interact. energy: 0.337 local terms energy: -495.409443 where: bonds (distance) C4'-P energy: -100.456 bonds (distance) P-C4' energy: -111.036 flat angles C4'-P-C4' energy: -111.539 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: -118.139 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: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1093.160986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.160986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.160986 (E_RNA) where: Base-Base interactions energy: -688.086 where: short stacking energy: -310.320 Base-Backbone interact. energy: -0.336 local terms energy: -404.738896 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -108.030 flat angles C4'-P-C4' energy: -100.170 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: -68.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -858.867598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.867598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.867598 (E_RNA) where: Base-Base interactions energy: -507.124 where: short stacking energy: -247.795 Base-Backbone interact. energy: -3.802 local terms energy: -347.941761 where: bonds (distance) C4'-P energy: -99.617 bonds (distance) P-C4' energy: -92.200 flat angles C4'-P-C4' energy: -85.699 flat angles P-C4'-P energy: -46.563 tors. eta vs tors. theta energy: -23.862 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: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -528.953062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.953062 (E_RNA) where: Base-Base interactions energy: -214.445 where: short stacking energy: -136.470 Base-Backbone interact. energy: 1.388 local terms energy: -315.896690 where: bonds (distance) C4'-P energy: -100.297 bonds (distance) P-C4' energy: -98.476 flat angles C4'-P-C4' energy: -86.264 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: 25.008 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: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2090.749086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.749086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.749086 (E_RNA) where: Base-Base interactions energy: -1427.585 where: short stacking energy: -592.080 Base-Backbone interact. energy: -3.799 local terms energy: -659.365351 where: bonds (distance) C4'-P energy: -117.454 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -138.529 flat angles P-C4'-P energy: -94.671 tors. eta vs tors. theta energy: -177.477 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: 2, replica: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2018.782430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.782430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.782430 (E_RNA) where: Base-Base interactions energy: -1402.949 where: short stacking energy: -578.862 Base-Backbone interact. energy: -3.858 local terms energy: -611.974773 where: bonds (distance) C4'-P energy: -113.355 bonds (distance) P-C4' energy: -113.164 flat angles C4'-P-C4' energy: -131.121 flat angles P-C4'-P energy: -90.621 tors. eta vs tors. theta energy: -163.713 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: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1898.032309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.032309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.032309 (E_RNA) where: Base-Base interactions energy: -1324.743 where: short stacking energy: -534.966 Base-Backbone interact. energy: -4.001 local terms energy: -569.288555 where: bonds (distance) C4'-P energy: -107.060 bonds (distance) P-C4' energy: -104.619 flat angles C4'-P-C4' energy: -121.040 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -156.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1859.268515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.268515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.268515 (E_RNA) where: Base-Base interactions energy: -1285.390 where: short stacking energy: -540.767 Base-Backbone interact. energy: -3.336 local terms energy: -570.541972 where: bonds (distance) C4'-P energy: -103.438 bonds (distance) P-C4' energy: -107.974 flat angles C4'-P-C4' energy: -123.636 flat angles P-C4'-P energy: -62.395 tors. eta vs tors. theta energy: -173.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1717.476117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.476117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.476117 (E_RNA) where: Base-Base interactions energy: -1141.954 where: short stacking energy: -496.923 Base-Backbone interact. energy: -2.362 local terms energy: -573.160236 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -109.220 flat angles C4'-P-C4' energy: -128.036 flat angles P-C4'-P energy: -83.114 tors. eta vs tors. theta energy: -145.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1426.206585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.206585 (E_RNA) where: Base-Base interactions energy: -941.339 where: short stacking energy: -428.121 Base-Backbone interact. energy: 4.402 local terms energy: -489.269063 where: bonds (distance) C4'-P energy: -97.507 bonds (distance) P-C4' energy: -108.102 flat angles C4'-P-C4' energy: -99.186 flat angles P-C4'-P energy: -77.438 tors. eta vs tors. theta energy: -107.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1469.702162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.702162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.702162 (E_RNA) where: Base-Base interactions energy: -992.365 where: short stacking energy: -440.385 Base-Backbone interact. energy: -0.656 local terms energy: -476.681459 where: bonds (distance) C4'-P energy: -99.499 bonds (distance) P-C4' energy: -96.182 flat angles C4'-P-C4' energy: -103.996 flat angles P-C4'-P energy: -67.751 tors. eta vs tors. theta energy: -109.254 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: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1058.638247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.638247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.638247 (E_RNA) where: Base-Base interactions energy: -659.502 where: short stacking energy: -291.800 Base-Backbone interact. energy: 1.455 local terms energy: -400.591142 where: bonds (distance) C4'-P energy: -82.386 bonds (distance) P-C4' energy: -91.014 flat angles C4'-P-C4' energy: -93.405 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -67.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -852.963513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.963513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.963513 (E_RNA) where: Base-Base interactions energy: -466.599 where: short stacking energy: -234.579 Base-Backbone interact. energy: -0.144 local terms energy: -386.220853 where: bonds (distance) C4'-P energy: -104.114 bonds (distance) P-C4' energy: -100.227 flat angles C4'-P-C4' energy: -87.869 flat angles P-C4'-P energy: -60.932 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: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -494.963426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.963426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.963426 (E_RNA) where: Base-Base interactions energy: -192.690 where: short stacking energy: -135.193 Base-Backbone interact. energy: -0.470 local terms energy: -301.803114 where: bonds (distance) C4'-P energy: -95.860 bonds (distance) P-C4' energy: -103.837 flat angles C4'-P-C4' energy: -83.899 flat angles P-C4'-P energy: -47.609 tors. eta vs tors. theta energy: 29.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2083.850764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.850764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.850764 (E_RNA) where: Base-Base interactions energy: -1460.614 where: short stacking energy: -612.430 Base-Backbone interact. energy: 0.120 local terms energy: -623.356335 where: bonds (distance) C4'-P energy: -109.405 bonds (distance) P-C4' energy: -112.578 flat angles C4'-P-C4' energy: -134.849 flat angles P-C4'-P energy: -93.786 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: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2055.617476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.617476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.617476 (E_RNA) where: Base-Base interactions energy: -1425.777 where: short stacking energy: -587.392 Base-Backbone interact. energy: 0.536 local terms energy: -630.376445 where: bonds (distance) C4'-P energy: -106.803 bonds (distance) P-C4' energy: -110.386 flat angles C4'-P-C4' energy: -133.474 flat angles P-C4'-P energy: -101.194 tors. eta vs tors. theta energy: -178.520 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: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1896.446523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.446523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.446523 (E_RNA) where: Base-Base interactions energy: -1306.712 where: short stacking energy: -556.985 Base-Backbone interact. energy: 0.176 local terms energy: -589.910539 where: bonds (distance) C4'-P energy: -100.418 bonds (distance) P-C4' energy: -112.190 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -168.881 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: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1886.492927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.492927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.492927 (E_RNA) where: Base-Base interactions energy: -1313.143 where: short stacking energy: -562.793 Base-Backbone interact. energy: -1.937 local terms energy: -571.412699 where: bonds (distance) C4'-P energy: -108.191 bonds (distance) P-C4' energy: -108.882 flat angles C4'-P-C4' energy: -132.328 flat angles P-C4'-P energy: -69.886 tors. eta vs tors. theta energy: -152.125 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: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1670.590199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.590199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.590199 (E_RNA) where: Base-Base interactions energy: -1140.502 where: short stacking energy: -490.716 Base-Backbone interact. energy: 0.983 local terms energy: -531.071251 where: bonds (distance) C4'-P energy: -102.319 bonds (distance) P-C4' energy: -112.276 flat angles C4'-P-C4' energy: -115.983 flat angles P-C4'-P energy: -73.682 tors. eta vs tors. theta energy: -126.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1480.664336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.664336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.664336 (E_RNA) where: Base-Base interactions energy: -1002.349 where: short stacking energy: -412.421 Base-Backbone interact. energy: -2.110 local terms energy: -476.205048 where: bonds (distance) C4'-P energy: -88.843 bonds (distance) P-C4' energy: -117.217 flat angles C4'-P-C4' energy: -109.698 flat angles P-C4'-P energy: -64.505 tors. eta vs tors. theta energy: -95.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1469.670326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.670326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.670326 (E_RNA) where: Base-Base interactions energy: -972.366 where: short stacking energy: -422.708 Base-Backbone interact. energy: 3.050 local terms energy: -500.353974 where: bonds (distance) C4'-P energy: -106.052 bonds (distance) P-C4' energy: -97.624 flat angles C4'-P-C4' energy: -103.416 flat angles P-C4'-P energy: -74.468 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: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1087.355627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.355627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.355627 (E_RNA) where: Base-Base interactions energy: -696.396 where: short stacking energy: -324.004 Base-Backbone interact. energy: -0.651 local terms energy: -390.308457 where: bonds (distance) C4'-P energy: -89.388 bonds (distance) P-C4' energy: -112.899 flat angles C4'-P-C4' energy: -102.356 flat angles P-C4'-P energy: -38.180 tors. eta vs tors. theta energy: -47.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -810.202683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.202683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.202683 (E_RNA) where: Base-Base interactions energy: -434.728 where: short stacking energy: -219.166 Base-Backbone interact. energy: 3.999 local terms energy: -379.473402 where: bonds (distance) C4'-P energy: -99.749 bonds (distance) P-C4' energy: -98.199 flat angles C4'-P-C4' energy: -86.693 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: -28.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -511.431029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.431029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.431029 (E_RNA) where: Base-Base interactions energy: -179.173 where: short stacking energy: -123.906 Base-Backbone interact. energy: -4.910 local terms energy: -327.348462 where: bonds (distance) C4'-P energy: -102.139 bonds (distance) P-C4' energy: -100.811 flat angles C4'-P-C4' energy: -101.057 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: 24.630 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: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2112.083075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.083075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.083075 (E_RNA) where: Base-Base interactions energy: -1457.809 where: short stacking energy: -596.288 Base-Backbone interact. energy: -2.685 local terms energy: -651.589246 where: bonds (distance) C4'-P energy: -126.142 bonds (distance) P-C4' energy: -121.438 flat angles C4'-P-C4' energy: -131.982 flat angles P-C4'-P energy: -93.806 tors. eta vs tors. theta energy: -178.222 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: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2067.575459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.575459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.575459 (E_RNA) where: Base-Base interactions energy: -1417.435 where: short stacking energy: -584.170 Base-Backbone interact. energy: -5.108 local terms energy: -645.032729 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -117.302 flat angles C4'-P-C4' energy: -134.553 flat angles P-C4'-P energy: -94.602 tors. eta vs tors. theta energy: -173.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1922.005552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.005552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.005552 (E_RNA) where: Base-Base interactions energy: -1313.020 where: short stacking energy: -568.156 Base-Backbone interact. energy: -2.615 local terms energy: -606.371321 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -125.323 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: -168.967 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: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1878.009633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.009633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.009633 (E_RNA) where: Base-Base interactions energy: -1291.353 where: short stacking energy: -534.360 Base-Backbone interact. energy: -3.362 local terms energy: -583.294544 where: bonds (distance) C4'-P energy: -98.729 bonds (distance) P-C4' energy: -121.250 flat angles C4'-P-C4' energy: -141.353 flat angles P-C4'-P energy: -75.186 tors. eta vs tors. theta energy: -146.776 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: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1669.996633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.996633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.996633 (E_RNA) where: Base-Base interactions energy: -1135.530 where: short stacking energy: -495.215 Base-Backbone interact. energy: -1.637 local terms energy: -532.829651 where: bonds (distance) C4'-P energy: -97.198 bonds (distance) P-C4' energy: -104.460 flat angles C4'-P-C4' energy: -129.722 flat angles P-C4'-P energy: -66.675 tors. eta vs tors. theta energy: -134.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1543.799639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.799639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.799639 (E_RNA) where: Base-Base interactions energy: -1022.252 where: short stacking energy: -484.235 Base-Backbone interact. energy: -1.085 local terms energy: -520.463325 where: bonds (distance) C4'-P energy: -97.287 bonds (distance) P-C4' energy: -97.232 flat angles C4'-P-C4' energy: -127.239 flat angles P-C4'-P energy: -63.287 tors. eta vs tors. theta energy: -135.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1393.851200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.851200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.851200 (E_RNA) where: Base-Base interactions energy: -917.253 where: short stacking energy: -408.876 Base-Backbone interact. energy: -2.494 local terms energy: -474.103896 where: bonds (distance) C4'-P energy: -87.613 bonds (distance) P-C4' energy: -112.496 flat angles C4'-P-C4' energy: -98.718 flat angles P-C4'-P energy: -76.286 tors. eta vs tors. theta energy: -98.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1095.516678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.516678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.516678 (E_RNA) where: Base-Base interactions energy: -671.398 where: short stacking energy: -320.791 Base-Backbone interact. energy: -2.317 local terms energy: -421.802434 where: bonds (distance) C4'-P energy: -97.236 bonds (distance) P-C4' energy: -92.297 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -72.373 tors. eta vs tors. theta energy: -50.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -785.218229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.218229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.218229 (E_RNA) where: Base-Base interactions energy: -426.053 where: short stacking energy: -220.970 Base-Backbone interact. energy: -2.286 local terms energy: -356.878881 where: bonds (distance) C4'-P energy: -106.052 bonds (distance) P-C4' energy: -90.510 flat angles C4'-P-C4' energy: -84.153 flat angles P-C4'-P energy: -52.387 tors. eta vs tors. theta energy: -23.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -462.438070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.438070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.438070 (E_RNA) where: Base-Base interactions energy: -143.584 where: short stacking energy: -105.077 Base-Backbone interact. energy: -0.008 local terms energy: -318.846889 where: bonds (distance) C4'-P energy: -107.446 bonds (distance) P-C4' energy: -105.260 flat angles C4'-P-C4' energy: -91.450 flat angles P-C4'-P energy: -45.273 tors. eta vs tors. theta energy: 30.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2104.869171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.869171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.869171 (E_RNA) where: Base-Base interactions energy: -1463.139 where: short stacking energy: -617.693 Base-Backbone interact. energy: -3.701 local terms energy: -638.029105 where: bonds (distance) C4'-P energy: -118.829 bonds (distance) P-C4' energy: -113.101 flat angles C4'-P-C4' energy: -131.233 flat angles P-C4'-P energy: -87.981 tors. eta vs tors. theta energy: -186.885 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: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2053.945189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.945189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.945189 (E_RNA) where: Base-Base interactions energy: -1429.066 where: short stacking energy: -595.248 Base-Backbone interact. energy: 2.690 local terms energy: -627.569214 where: bonds (distance) C4'-P energy: -113.634 bonds (distance) P-C4' energy: -107.922 flat angles C4'-P-C4' energy: -138.195 flat angles P-C4'-P energy: -95.165 tors. eta vs tors. theta energy: -172.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1951.660970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.660970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.660970 (E_RNA) where: Base-Base interactions energy: -1310.755 where: short stacking energy: -570.392 Base-Backbone interact. energy: -1.596 local terms energy: -639.310456 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -128.106 flat angles C4'-P-C4' energy: -131.340 flat angles P-C4'-P energy: -86.955 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: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1826.071304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.071304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.071304 (E_RNA) where: Base-Base interactions energy: -1251.760 where: short stacking energy: -503.152 Base-Backbone interact. energy: -5.012 local terms energy: -569.299372 where: bonds (distance) C4'-P energy: -106.081 bonds (distance) P-C4' energy: -116.990 flat angles C4'-P-C4' energy: -127.332 flat angles P-C4'-P energy: -77.547 tors. eta vs tors. theta energy: -141.349 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: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1677.641934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.641934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.641934 (E_RNA) where: Base-Base interactions energy: -1135.557 where: short stacking energy: -503.149 Base-Backbone interact. energy: -0.439 local terms energy: -541.646333 where: bonds (distance) C4'-P energy: -98.217 bonds (distance) P-C4' energy: -109.771 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -76.481 tors. eta vs tors. theta energy: -139.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1556.514827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.514827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.514827 (E_RNA) where: Base-Base interactions energy: -1024.435 where: short stacking energy: -473.380 Base-Backbone interact. energy: 1.696 local terms energy: -533.776668 where: bonds (distance) C4'-P energy: -109.360 bonds (distance) P-C4' energy: -107.407 flat angles C4'-P-C4' energy: -131.503 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -123.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1374.828451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.828451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.828451 (E_RNA) where: Base-Base interactions energy: -875.399 where: short stacking energy: -399.330 Base-Backbone interact. energy: -1.092 local terms energy: -498.337401 where: bonds (distance) C4'-P energy: -95.052 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -122.219 flat angles P-C4'-P energy: -77.575 tors. eta vs tors. theta energy: -109.034 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: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1050.403107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.403107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.403107 (E_RNA) where: Base-Base interactions energy: -612.638 where: short stacking energy: -297.280 Base-Backbone interact. energy: -1.642 local terms energy: -436.122956 where: bonds (distance) C4'-P energy: -108.216 bonds (distance) P-C4' energy: -117.912 flat angles C4'-P-C4' energy: -100.454 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -48.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -793.338396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.338396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.338396 (E_RNA) where: Base-Base interactions energy: -436.496 where: short stacking energy: -238.064 Base-Backbone interact. energy: -1.636 local terms energy: -355.206358 where: bonds (distance) C4'-P energy: -83.117 bonds (distance) P-C4' energy: -94.429 flat angles C4'-P-C4' energy: -76.871 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -42.611 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: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -472.211464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.211464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.211464 (E_RNA) where: Base-Base interactions energy: -170.532 where: short stacking energy: -152.797 Base-Backbone interact. energy: 0.830 local terms energy: -302.508591 where: bonds (distance) C4'-P energy: -97.948 bonds (distance) P-C4' energy: -81.131 flat angles C4'-P-C4' energy: -92.543 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: 13.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2121.619870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.619870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.619870 (E_RNA) where: Base-Base interactions energy: -1455.137 where: short stacking energy: -608.888 Base-Backbone interact. energy: -3.606 local terms energy: -662.877309 where: bonds (distance) C4'-P energy: -124.385 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -135.566 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -184.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2061.495394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.495394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.495394 (E_RNA) where: Base-Base interactions energy: -1439.578 where: short stacking energy: -584.425 Base-Backbone interact. energy: -4.298 local terms energy: -617.619402 where: bonds (distance) C4'-P energy: -106.589 bonds (distance) P-C4' energy: -113.290 flat angles C4'-P-C4' energy: -130.342 flat angles P-C4'-P energy: -97.790 tors. eta vs tors. theta energy: -169.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1936.412846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.412846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.412846 (E_RNA) where: Base-Base interactions energy: -1348.756 where: short stacking energy: -569.703 Base-Backbone interact. energy: -3.084 local terms energy: -584.572744 where: bonds (distance) C4'-P energy: -106.467 bonds (distance) P-C4' energy: -106.840 flat angles C4'-P-C4' energy: -129.540 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: -166.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1844.160191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.160191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.160191 (E_RNA) where: Base-Base interactions energy: -1266.424 where: short stacking energy: -522.085 Base-Backbone interact. energy: -2.033 local terms energy: -575.702549 where: bonds (distance) C4'-P energy: -114.840 bonds (distance) P-C4' energy: -117.365 flat angles C4'-P-C4' energy: -122.515 flat angles P-C4'-P energy: -81.322 tors. eta vs tors. theta energy: -139.661 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: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1682.479468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.479468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.479468 (E_RNA) where: Base-Base interactions energy: -1156.913 where: short stacking energy: -510.189 Base-Backbone interact. energy: -2.169 local terms energy: -523.397342 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -104.590 flat angles C4'-P-C4' energy: -108.619 flat angles P-C4'-P energy: -72.364 tors. eta vs tors. theta energy: -147.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1504.474801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.474801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.474801 (E_RNA) where: Base-Base interactions energy: -986.468 where: short stacking energy: -440.012 Base-Backbone interact. energy: -0.646 local terms energy: -517.361650 where: bonds (distance) C4'-P energy: -97.375 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -108.967 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -117.368 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: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1320.667137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.667137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.667137 (E_RNA) where: Base-Base interactions energy: -841.644 where: short stacking energy: -380.403 Base-Backbone interact. energy: 0.564 local terms energy: -479.587283 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -68.478 tors. eta vs tors. theta energy: -99.258 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: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1020.955343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.955343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.955343 (E_RNA) where: Base-Base interactions energy: -615.111 where: short stacking energy: -283.846 Base-Backbone interact. energy: -1.020 local terms energy: -404.823955 where: bonds (distance) C4'-P energy: -116.325 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -67.825 tors. eta vs tors. theta energy: -45.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -793.327138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.327138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.327138 (E_RNA) where: Base-Base interactions energy: -462.704 where: short stacking energy: -214.000 Base-Backbone interact. energy: -4.005 local terms energy: -326.618479 where: bonds (distance) C4'-P energy: -85.453 bonds (distance) P-C4' energy: -104.681 flat angles C4'-P-C4' energy: -77.953 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -0.919 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: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -480.376764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.376764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.376764 (E_RNA) where: Base-Base interactions energy: -188.744 where: short stacking energy: -142.543 Base-Backbone interact. energy: 2.984 local terms energy: -294.616274 where: bonds (distance) C4'-P energy: -87.691 bonds (distance) P-C4' energy: -102.532 flat angles C4'-P-C4' energy: -84.142 flat angles P-C4'-P energy: -51.507 tors. eta vs tors. theta energy: 31.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2095.230069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.230069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.230069 (E_RNA) where: Base-Base interactions energy: -1445.075 where: short stacking energy: -606.216 Base-Backbone interact. energy: -3.893 local terms energy: -646.262172 where: bonds (distance) C4'-P energy: -119.397 bonds (distance) P-C4' energy: -121.337 flat angles C4'-P-C4' energy: -139.427 flat angles P-C4'-P energy: -77.115 tors. eta vs tors. theta energy: -188.986 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: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2050.429364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.429364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.429364 (E_RNA) where: Base-Base interactions energy: -1410.891 where: short stacking energy: -599.608 Base-Backbone interact. energy: -4.558 local terms energy: -634.980497 where: bonds (distance) C4'-P energy: -121.874 bonds (distance) P-C4' energy: -121.032 flat angles C4'-P-C4' energy: -126.894 flat angles P-C4'-P energy: -91.476 tors. eta vs tors. theta energy: -173.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1959.373890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.373890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.373890 (E_RNA) where: Base-Base interactions energy: -1345.767 where: short stacking energy: -577.098 Base-Backbone interact. energy: -3.258 local terms energy: -610.348924 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -101.255 flat angles C4'-P-C4' energy: -132.729 flat angles P-C4'-P energy: -94.935 tors. eta vs tors. theta energy: -167.360 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: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1857.632603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.632603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.632603 (E_RNA) where: Base-Base interactions energy: -1265.896 where: short stacking energy: -520.971 Base-Backbone interact. energy: -2.842 local terms energy: -588.895199 where: bonds (distance) C4'-P energy: -82.209 bonds (distance) P-C4' energy: -131.219 flat angles C4'-P-C4' energy: -123.990 flat angles P-C4'-P energy: -91.206 tors. eta vs tors. theta energy: -160.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1652.806180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.806180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.806180 (E_RNA) where: Base-Base interactions energy: -1125.421 where: short stacking energy: -459.270 Base-Backbone interact. energy: -2.272 local terms energy: -525.113054 where: bonds (distance) C4'-P energy: -110.970 bonds (distance) P-C4' energy: -92.920 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -67.739 tors. eta vs tors. theta energy: -136.458 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: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1531.428368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.428368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.428368 (E_RNA) where: Base-Base interactions energy: -1012.275 where: short stacking energy: -463.405 Base-Backbone interact. energy: -4.048 local terms energy: -515.106098 where: bonds (distance) C4'-P energy: -92.133 bonds (distance) P-C4' energy: -109.625 flat angles C4'-P-C4' energy: -110.859 flat angles P-C4'-P energy: -80.090 tors. eta vs tors. theta energy: -122.399 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: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1401.890539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.890539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.890539 (E_RNA) where: Base-Base interactions energy: -918.960 where: short stacking energy: -389.062 Base-Backbone interact. energy: -1.010 local terms energy: -481.920608 where: bonds (distance) C4'-P energy: -92.222 bonds (distance) P-C4' energy: -111.238 flat angles C4'-P-C4' energy: -122.405 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: -100.995 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: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1033.699936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.699936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.699936 (E_RNA) where: Base-Base interactions energy: -651.915 where: short stacking energy: -316.981 Base-Backbone interact. energy: -1.269 local terms energy: -380.515790 where: bonds (distance) C4'-P energy: -82.576 bonds (distance) P-C4' energy: -99.349 flat angles C4'-P-C4' energy: -86.203 flat angles P-C4'-P energy: -62.448 tors. eta vs tors. theta energy: -49.941 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: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -879.282757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.282757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.282757 (E_RNA) where: Base-Base interactions energy: -490.008 where: short stacking energy: -239.275 Base-Backbone interact. energy: -4.807 local terms energy: -384.468351 where: bonds (distance) C4'-P energy: -84.665 bonds (distance) P-C4' energy: -101.575 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -18.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -482.855991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.855991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.855991 (E_RNA) where: Base-Base interactions energy: -173.333 where: short stacking energy: -153.660 Base-Backbone interact. energy: -0.945 local terms energy: -308.578135 where: bonds (distance) C4'-P energy: -81.711 bonds (distance) P-C4' energy: -103.495 flat angles C4'-P-C4' energy: -90.118 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: 5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2095.460991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.460991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.460991 (E_RNA) where: Base-Base interactions energy: -1453.510 where: short stacking energy: -605.399 Base-Backbone interact. energy: -3.026 local terms energy: -638.925455 where: bonds (distance) C4'-P energy: -111.000 bonds (distance) P-C4' energy: -123.398 flat angles C4'-P-C4' energy: -141.162 flat angles P-C4'-P energy: -96.092 tors. eta vs tors. theta energy: -167.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2072.079802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.079802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.079802 (E_RNA) where: Base-Base interactions energy: -1438.085 where: short stacking energy: -599.286 Base-Backbone interact. energy: -0.898 local terms energy: -633.096185 where: bonds (distance) C4'-P energy: -121.439 bonds (distance) P-C4' energy: -115.323 flat angles C4'-P-C4' energy: -133.387 flat angles P-C4'-P energy: -89.170 tors. eta vs tors. theta energy: -173.776 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: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1969.397233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.397233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.397233 (E_RNA) where: Base-Base interactions energy: -1362.487 where: short stacking energy: -583.983 Base-Backbone interact. energy: -2.621 local terms energy: -604.289905 where: bonds (distance) C4'-P energy: -112.395 bonds (distance) P-C4' energy: -107.477 flat angles C4'-P-C4' energy: -132.177 flat angles P-C4'-P energy: -73.928 tors. eta vs tors. theta energy: -178.314 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: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1849.025685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.025685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.025685 (E_RNA) where: Base-Base interactions energy: -1281.624 where: short stacking energy: -529.443 Base-Backbone interact. energy: -3.111 local terms energy: -564.290896 where: bonds (distance) C4'-P energy: -104.037 bonds (distance) P-C4' energy: -110.729 flat angles C4'-P-C4' energy: -115.084 flat angles P-C4'-P energy: -85.855 tors. eta vs tors. theta energy: -148.586 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: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1630.186021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.186021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.186021 (E_RNA) where: Base-Base interactions energy: -1102.500 where: short stacking energy: -497.383 Base-Backbone interact. energy: -2.446 local terms energy: -525.239742 where: bonds (distance) C4'-P energy: -95.153 bonds (distance) P-C4' energy: -103.590 flat angles C4'-P-C4' energy: -118.188 flat angles P-C4'-P energy: -77.703 tors. eta vs tors. theta energy: -130.605 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: 365 Temperature: 1.150000 Total energy: -1510.167356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.167356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.167356 (E_RNA) where: Base-Base interactions energy: -995.891 where: short stacking energy: -439.929 Base-Backbone interact. energy: 6.018 local terms energy: -520.294205 where: bonds (distance) C4'-P energy: -96.504 bonds (distance) P-C4' energy: -104.337 flat angles C4'-P-C4' energy: -110.520 flat angles P-C4'-P energy: -84.655 tors. eta vs tors. theta energy: -124.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1427.150420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.150420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.150420 (E_RNA) where: Base-Base interactions energy: -928.751 where: short stacking energy: -411.812 Base-Backbone interact. energy: -1.003 local terms energy: -497.395954 where: bonds (distance) C4'-P energy: -92.709 bonds (distance) P-C4' energy: -100.667 flat angles C4'-P-C4' energy: -125.208 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -103.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1011.845167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.845167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.845167 (E_RNA) where: Base-Base interactions energy: -617.121 where: short stacking energy: -299.441 Base-Backbone interact. energy: -1.642 local terms energy: -393.082169 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -104.275 flat angles C4'-P-C4' energy: -103.815 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -53.726 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: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -894.871392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.871392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.871392 (E_RNA) where: Base-Base interactions energy: -531.179 where: short stacking energy: -285.111 Base-Backbone interact. energy: 2.825 local terms energy: -366.516726 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -85.773 flat angles C4'-P-C4' energy: -104.788 flat angles P-C4'-P energy: -55.937 tors. eta vs tors. theta energy: -38.111 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: 365 Temperature: 1.350000 Total energy: -453.874193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.874193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.874193 (E_RNA) where: Base-Base interactions energy: -176.309 where: short stacking energy: -126.464 Base-Backbone interact. energy: -2.403 local terms energy: -275.161579 where: bonds (distance) C4'-P energy: -93.440 bonds (distance) P-C4' energy: -96.537 flat angles C4'-P-C4' energy: -84.293 flat angles P-C4'-P energy: -20.428 tors. eta vs tors. theta energy: 19.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2065.026894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.026894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.026894 (E_RNA) where: Base-Base interactions energy: -1419.500 where: short stacking energy: -582.179 Base-Backbone interact. energy: -4.027 local terms energy: -641.500191 where: bonds (distance) C4'-P energy: -107.493 bonds (distance) P-C4' energy: -127.739 flat angles C4'-P-C4' energy: -134.204 flat angles P-C4'-P energy: -97.074 tors. eta vs tors. theta energy: -174.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2038.572873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.572873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.572873 (E_RNA) where: Base-Base interactions energy: -1423.175 where: short stacking energy: -616.322 Base-Backbone interact. energy: 0.968 local terms energy: -616.366591 where: bonds (distance) C4'-P energy: -122.268 bonds (distance) P-C4' energy: -106.285 flat angles C4'-P-C4' energy: -133.978 flat angles P-C4'-P energy: -83.446 tors. eta vs tors. theta energy: -170.390 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: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1952.747257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.747257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.747257 (E_RNA) where: Base-Base interactions energy: -1313.404 where: short stacking energy: -565.551 Base-Backbone interact. energy: 0.086 local terms energy: -639.428708 where: bonds (distance) C4'-P energy: -117.492 bonds (distance) P-C4' energy: -125.263 flat angles C4'-P-C4' energy: -133.358 flat angles P-C4'-P energy: -82.246 tors. eta vs tors. theta energy: -181.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1825.731724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.731724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.731724 (E_RNA) where: Base-Base interactions energy: -1255.096 where: short stacking energy: -498.881 Base-Backbone interact. energy: -4.339 local terms energy: -566.297629 where: bonds (distance) C4'-P energy: -96.370 bonds (distance) P-C4' energy: -117.566 flat angles C4'-P-C4' energy: -124.960 flat angles P-C4'-P energy: -90.549 tors. eta vs tors. theta energy: -136.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1640.555811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.555811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.555811 (E_RNA) where: Base-Base interactions energy: -1107.944 where: short stacking energy: -485.697 Base-Backbone interact. energy: 1.992 local terms energy: -534.604587 where: bonds (distance) C4'-P energy: -107.992 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -111.629 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -134.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1528.355367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.355367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.355367 (E_RNA) where: Base-Base interactions energy: -1022.647 where: short stacking energy: -447.653 Base-Backbone interact. energy: 0.306 local terms energy: -506.014313 where: bonds (distance) C4'-P energy: -97.951 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -84.039 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: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1390.602679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.602679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.602679 (E_RNA) where: Base-Base interactions energy: -924.688 where: short stacking energy: -405.973 Base-Backbone interact. energy: 1.446 local terms energy: -467.360548 where: bonds (distance) C4'-P energy: -92.981 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -104.327 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: -98.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -995.503056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.503056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.503056 (E_RNA) where: Base-Base interactions energy: -621.730 where: short stacking energy: -292.328 Base-Backbone interact. energy: 0.819 local terms energy: -374.592630 where: bonds (distance) C4'-P energy: -90.114 bonds (distance) P-C4' energy: -95.395 flat angles C4'-P-C4' energy: -83.752 flat angles P-C4'-P energy: -70.825 tors. eta vs tors. theta energy: -34.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -848.772718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.772718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.772718 (E_RNA) where: Base-Base interactions energy: -497.842 where: short stacking energy: -247.516 Base-Backbone interact. energy: 0.036 local terms energy: -350.966819 where: bonds (distance) C4'-P energy: -94.552 bonds (distance) P-C4' energy: -95.201 flat angles C4'-P-C4' energy: -80.647 flat angles P-C4'-P energy: -64.725 tors. eta vs tors. theta energy: -15.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -474.697659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.697659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.697659 (E_RNA) where: Base-Base interactions energy: -137.904 where: short stacking energy: -116.906 Base-Backbone interact. energy: -3.876 local terms energy: -332.917898 where: bonds (distance) C4'-P energy: -96.218 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -78.787 flat angles P-C4'-P energy: -64.353 tors. eta vs tors. theta energy: 7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2088.935361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.935361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.935361 (E_RNA) where: Base-Base interactions energy: -1438.812 where: short stacking energy: -616.280 Base-Backbone interact. energy: -3.233 local terms energy: -646.889573 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -135.229 flat angles P-C4'-P energy: -82.281 tors. eta vs tors. theta energy: -179.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2025.190664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.190664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.190664 (E_RNA) where: Base-Base interactions energy: -1419.770 where: short stacking energy: -597.867 Base-Backbone interact. energy: -1.857 local terms energy: -603.563944 where: bonds (distance) C4'-P energy: -109.388 bonds (distance) P-C4' energy: -122.200 flat angles C4'-P-C4' energy: -125.584 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -160.881 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: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1941.437035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.437035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.437035 (E_RNA) where: Base-Base interactions energy: -1325.383 where: short stacking energy: -588.572 Base-Backbone interact. energy: -5.837 local terms energy: -610.217121 where: bonds (distance) C4'-P energy: -119.806 bonds (distance) P-C4' energy: -109.085 flat angles C4'-P-C4' energy: -127.694 flat angles P-C4'-P energy: -84.574 tors. eta vs tors. theta energy: -169.058 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: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1841.234494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.234494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.234494 (E_RNA) where: Base-Base interactions energy: -1279.745 where: short stacking energy: -539.088 Base-Backbone interact. energy: -1.115 local terms energy: -560.374639 where: bonds (distance) C4'-P energy: -83.809 bonds (distance) P-C4' energy: -115.039 flat angles C4'-P-C4' energy: -124.868 flat angles P-C4'-P energy: -86.226 tors. eta vs tors. theta energy: -150.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1645.257427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.257427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.257427 (E_RNA) where: Base-Base interactions energy: -1106.867 where: short stacking energy: -492.633 Base-Backbone interact. energy: 2.598 local terms energy: -540.988374 where: bonds (distance) C4'-P energy: -100.044 bonds (distance) P-C4' energy: -110.801 flat angles C4'-P-C4' energy: -118.420 flat angles P-C4'-P energy: -77.439 tors. eta vs tors. theta energy: -134.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1456.919971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.919971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.919971 (E_RNA) where: Base-Base interactions energy: -954.858 where: short stacking energy: -405.893 Base-Backbone interact. energy: -2.304 local terms energy: -499.758586 where: bonds (distance) C4'-P energy: -116.186 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -116.944 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -101.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1453.587169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.587169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.587169 (E_RNA) where: Base-Base interactions energy: -964.610 where: short stacking energy: -447.653 Base-Backbone interact. energy: -0.572 local terms energy: -488.405176 where: bonds (distance) C4'-P energy: -79.444 bonds (distance) P-C4' energy: -92.584 flat angles C4'-P-C4' energy: -113.340 flat angles P-C4'-P energy: -74.933 tors. eta vs tors. theta energy: -128.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -925.515103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.515103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.515103 (E_RNA) where: Base-Base interactions energy: -546.274 where: short stacking energy: -258.996 Base-Backbone interact. energy: 1.208 local terms energy: -380.449081 where: bonds (distance) C4'-P energy: -80.165 bonds (distance) P-C4' energy: -111.760 flat angles C4'-P-C4' energy: -96.917 flat angles P-C4'-P energy: -62.121 tors. eta vs tors. theta energy: -29.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -970.767727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.767727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.767727 (E_RNA) where: Base-Base interactions energy: -575.735 where: short stacking energy: -266.993 Base-Backbone interact. energy: 0.338 local terms energy: -395.370388 where: bonds (distance) C4'-P energy: -103.756 bonds (distance) P-C4' energy: -95.275 flat angles C4'-P-C4' energy: -99.379 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -26.508 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: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -509.494468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.494468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.494468 (E_RNA) where: Base-Base interactions energy: -253.999 where: short stacking energy: -155.203 Base-Backbone interact. energy: -1.498 local terms energy: -253.997037 where: bonds (distance) C4'-P energy: -87.816 bonds (distance) P-C4' energy: -95.026 flat angles C4'-P-C4' energy: -70.736 flat angles P-C4'-P energy: -26.078 tors. eta vs tors. theta energy: 25.660 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: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2128.512224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.512224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.512224 (E_RNA) where: Base-Base interactions energy: -1478.444 where: short stacking energy: -608.857 Base-Backbone interact. energy: -3.203 local terms energy: -646.865299 where: bonds (distance) C4'-P energy: -118.433 bonds (distance) P-C4' energy: -122.912 flat angles C4'-P-C4' energy: -135.146 flat angles P-C4'-P energy: -90.360 tors. eta vs tors. theta energy: -180.015 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: 368 Temperature: 0.950000 Total energy: -2048.591938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.591938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.591938 (E_RNA) where: Base-Base interactions energy: -1422.211 where: short stacking energy: -602.570 Base-Backbone interact. energy: -1.986 local terms energy: -624.394485 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -118.180 flat angles C4'-P-C4' energy: -138.890 flat angles P-C4'-P energy: -88.742 tors. eta vs tors. theta energy: -176.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1946.267404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.267404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.267404 (E_RNA) where: Base-Base interactions energy: -1337.395 where: short stacking energy: -583.244 Base-Backbone interact. energy: -3.728 local terms energy: -605.144566 where: bonds (distance) C4'-P energy: -102.484 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -134.857 flat angles P-C4'-P energy: -66.918 tors. eta vs tors. theta energy: -185.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1840.027424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.027424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.027424 (E_RNA) where: Base-Base interactions energy: -1268.244 where: short stacking energy: -515.576 Base-Backbone interact. energy: -3.235 local terms energy: -568.549087 where: bonds (distance) C4'-P energy: -110.021 bonds (distance) P-C4' energy: -111.491 flat angles C4'-P-C4' energy: -111.816 flat angles P-C4'-P energy: -81.955 tors. eta vs tors. theta energy: -153.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1675.648322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.648322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.648322 (E_RNA) where: Base-Base interactions energy: -1124.575 where: short stacking energy: -491.503 Base-Backbone interact. energy: 0.310 local terms energy: -551.383260 where: bonds (distance) C4'-P energy: -108.345 bonds (distance) P-C4' energy: -104.906 flat angles C4'-P-C4' energy: -120.822 flat angles P-C4'-P energy: -84.391 tors. eta vs tors. theta energy: -132.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1491.863329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.863329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.863329 (E_RNA) where: Base-Base interactions energy: -979.736 where: short stacking energy: -410.152 Base-Backbone interact. energy: 0.112 local terms energy: -512.239987 where: bonds (distance) C4'-P energy: -115.443 bonds (distance) P-C4' energy: -97.464 flat angles C4'-P-C4' energy: -115.553 flat angles P-C4'-P energy: -72.175 tors. eta vs tors. theta energy: -111.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1456.135132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.135132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.135132 (E_RNA) where: Base-Base interactions energy: -956.873 where: short stacking energy: -400.523 Base-Backbone interact. energy: -1.093 local terms energy: -498.168755 where: bonds (distance) C4'-P energy: -110.427 bonds (distance) P-C4' energy: -114.618 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -101.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -950.803536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.803536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.803536 (E_RNA) where: Base-Base interactions energy: -531.028 where: short stacking energy: -245.635 Base-Backbone interact. energy: -1.061 local terms energy: -418.714928 where: bonds (distance) C4'-P energy: -96.247 bonds (distance) P-C4' energy: -110.796 flat angles C4'-P-C4' energy: -115.116 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -32.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -953.891799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.891799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.891799 (E_RNA) where: Base-Base interactions energy: -572.527 where: short stacking energy: -240.961 Base-Backbone interact. energy: -3.088 local terms energy: -378.276261 where: bonds (distance) C4'-P energy: -78.003 bonds (distance) P-C4' energy: -106.882 flat angles C4'-P-C4' energy: -94.000 flat angles P-C4'-P energy: -55.971 tors. eta vs tors. theta energy: -43.421 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: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -549.932078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.932078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.932078 (E_RNA) where: Base-Base interactions energy: -209.528 where: short stacking energy: -151.144 Base-Backbone interact. energy: -1.937 local terms energy: -338.466411 where: bonds (distance) C4'-P energy: -111.330 bonds (distance) P-C4' energy: -104.403 flat angles C4'-P-C4' energy: -82.035 flat angles P-C4'-P energy: -51.074 tors. eta vs tors. theta energy: 10.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2127.824567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.824567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.824567 (E_RNA) where: Base-Base interactions energy: -1464.252 where: short stacking energy: -585.373 Base-Backbone interact. energy: -1.630 local terms energy: -661.942662 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -120.139 flat angles C4'-P-C4' energy: -137.858 flat angles P-C4'-P energy: -94.296 tors. eta vs tors. theta energy: -182.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2036.407249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.407249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.407249 (E_RNA) where: Base-Base interactions energy: -1405.589 where: short stacking energy: -596.445 Base-Backbone interact. energy: 2.814 local terms energy: -633.631761 where: bonds (distance) C4'-P energy: -110.581 bonds (distance) P-C4' energy: -123.837 flat angles C4'-P-C4' energy: -126.590 flat angles P-C4'-P energy: -89.406 tors. eta vs tors. theta energy: -183.218 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: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1899.567973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.567973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.567973 (E_RNA) where: Base-Base interactions energy: -1315.000 where: short stacking energy: -557.247 Base-Backbone interact. energy: -1.803 local terms energy: -582.765695 where: bonds (distance) C4'-P energy: -103.118 bonds (distance) P-C4' energy: -110.798 flat angles C4'-P-C4' energy: -130.180 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -162.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1828.318110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.318110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.318110 (E_RNA) where: Base-Base interactions energy: -1274.723 where: short stacking energy: -508.738 Base-Backbone interact. energy: -2.750 local terms energy: -550.844591 where: bonds (distance) C4'-P energy: -104.035 bonds (distance) P-C4' energy: -93.726 flat angles C4'-P-C4' energy: -126.178 flat angles P-C4'-P energy: -79.379 tors. eta vs tors. theta energy: -147.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1690.847942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.847942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.847942 (E_RNA) where: Base-Base interactions energy: -1141.379 where: short stacking energy: -495.190 Base-Backbone interact. energy: -1.859 local terms energy: -547.610230 where: bonds (distance) C4'-P energy: -116.140 bonds (distance) P-C4' energy: -117.612 flat angles C4'-P-C4' energy: -115.998 flat angles P-C4'-P energy: -63.211 tors. eta vs tors. theta energy: -134.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1543.961133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.961133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.961133 (E_RNA) where: Base-Base interactions energy: -1020.804 where: short stacking energy: -437.634 Base-Backbone interact. energy: -0.021 local terms energy: -523.136238 where: bonds (distance) C4'-P energy: -98.686 bonds (distance) P-C4' energy: -108.314 flat angles C4'-P-C4' energy: -120.178 flat angles P-C4'-P energy: -75.296 tors. eta vs tors. theta energy: -120.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1411.316763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.316763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.316763 (E_RNA) where: Base-Base interactions energy: -907.340 where: short stacking energy: -407.662 Base-Backbone interact. energy: -0.496 local terms energy: -503.481145 where: bonds (distance) C4'-P energy: -119.798 bonds (distance) P-C4' energy: -107.719 flat angles C4'-P-C4' energy: -117.824 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -92.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1001.015423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.015423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.015423 (E_RNA) where: Base-Base interactions energy: -615.684 where: short stacking energy: -294.400 Base-Backbone interact. energy: -1.775 local terms energy: -383.556403 where: bonds (distance) C4'-P energy: -89.299 bonds (distance) P-C4' energy: -110.641 flat angles C4'-P-C4' energy: -93.136 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -43.165 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: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -835.894461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.894461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.894461 (E_RNA) where: Base-Base interactions energy: -470.078 where: short stacking energy: -226.146 Base-Backbone interact. energy: 2.464 local terms energy: -368.280802 where: bonds (distance) C4'-P energy: -98.578 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -100.917 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -22.469 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: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -531.993698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.993698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.993698 (E_RNA) where: Base-Base interactions energy: -250.285 where: short stacking energy: -183.005 Base-Backbone interact. energy: 7.064 local terms energy: -288.772986 where: bonds (distance) C4'-P energy: -80.070 bonds (distance) P-C4' energy: -92.813 flat angles C4'-P-C4' energy: -67.467 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: 0.350 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: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2106.547276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.547276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.547276 (E_RNA) where: Base-Base interactions energy: -1437.759 where: short stacking energy: -585.598 Base-Backbone interact. energy: -3.787 local terms energy: -665.001184 where: bonds (distance) C4'-P energy: -127.261 bonds (distance) P-C4' energy: -133.555 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -88.191 tors. eta vs tors. theta energy: -180.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2024.472201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.472201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.472201 (E_RNA) where: Base-Base interactions energy: -1387.332 where: short stacking energy: -603.939 Base-Backbone interact. energy: -1.559 local terms energy: -635.580691 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -113.919 flat angles C4'-P-C4' energy: -136.538 flat angles P-C4'-P energy: -89.045 tors. eta vs tors. theta energy: -178.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1954.549678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.549678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.549678 (E_RNA) where: Base-Base interactions energy: -1325.967 where: short stacking energy: -559.592 Base-Backbone interact. energy: -1.459 local terms energy: -627.122912 where: bonds (distance) C4'-P energy: -114.056 bonds (distance) P-C4' energy: -116.639 flat angles C4'-P-C4' energy: -135.751 flat angles P-C4'-P energy: -86.121 tors. eta vs tors. theta energy: -174.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1780.795398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.795398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.795398 (E_RNA) where: Base-Base interactions energy: -1216.183 where: short stacking energy: -532.882 Base-Backbone interact. energy: 0.997 local terms energy: -565.609408 where: bonds (distance) C4'-P energy: -112.079 bonds (distance) P-C4' energy: -115.302 flat angles C4'-P-C4' energy: -119.793 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: -147.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1701.454172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.454172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.454172 (E_RNA) where: Base-Base interactions energy: -1153.788 where: short stacking energy: -487.296 Base-Backbone interact. energy: 0.844 local terms energy: -548.510528 where: bonds (distance) C4'-P energy: -114.633 bonds (distance) P-C4' energy: -106.618 flat angles C4'-P-C4' energy: -112.333 flat angles P-C4'-P energy: -74.782 tors. eta vs tors. theta energy: -140.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1532.610586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.610586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.610586 (E_RNA) where: Base-Base interactions energy: -1026.735 where: short stacking energy: -459.426 Base-Backbone interact. energy: -3.460 local terms energy: -502.415504 where: bonds (distance) C4'-P energy: -95.970 bonds (distance) P-C4' energy: -101.476 flat angles C4'-P-C4' energy: -111.348 flat angles P-C4'-P energy: -73.311 tors. eta vs tors. theta energy: -120.310 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: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1430.235178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.235178 (E_RNA) where: Base-Base interactions energy: -928.082 where: short stacking energy: -407.747 Base-Backbone interact. energy: -1.653 local terms energy: -500.500090 where: bonds (distance) C4'-P energy: -91.146 bonds (distance) P-C4' energy: -122.903 flat angles C4'-P-C4' energy: -124.179 flat angles P-C4'-P energy: -54.133 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: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1022.842760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.842760 (E_RNA) where: Base-Base interactions energy: -603.298 where: short stacking energy: -305.434 Base-Backbone interact. energy: 4.125 local terms energy: -423.670665 where: bonds (distance) C4'-P energy: -92.587 bonds (distance) P-C4' energy: -113.176 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -52.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -837.756551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.756551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.756551 (E_RNA) where: Base-Base interactions energy: -475.671 where: short stacking energy: -232.081 Base-Backbone interact. energy: 2.900 local terms energy: -364.985226 where: bonds (distance) C4'-P energy: -107.259 bonds (distance) P-C4' energy: -113.141 flat angles C4'-P-C4' energy: -67.756 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -31.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -509.959700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.959700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.959700 (E_RNA) where: Base-Base interactions energy: -196.716 where: short stacking energy: -121.687 Base-Backbone interact. energy: -0.284 local terms energy: -312.959842 where: bonds (distance) C4'-P energy: -89.578 bonds (distance) P-C4' energy: -103.037 flat angles C4'-P-C4' energy: -84.691 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: 15.553 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: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2093.722409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.722409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.722409 (E_RNA) where: Base-Base interactions energy: -1455.755 where: short stacking energy: -592.682 Base-Backbone interact. energy: -2.370 local terms energy: -635.597294 where: bonds (distance) C4'-P energy: -124.422 bonds (distance) P-C4' energy: -117.782 flat angles C4'-P-C4' energy: -138.542 flat angles P-C4'-P energy: -85.295 tors. eta vs tors. theta energy: -169.556 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: 371 Temperature: 0.950000 Total energy: -2044.537554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.537554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.537554 (E_RNA) where: Base-Base interactions energy: -1403.904 where: short stacking energy: -592.577 Base-Backbone interact. energy: -2.534 local terms energy: -638.099827 where: bonds (distance) C4'-P energy: -110.402 bonds (distance) P-C4' energy: -113.928 flat angles C4'-P-C4' energy: -132.572 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -187.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1978.674375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.674375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.674375 (E_RNA) where: Base-Base interactions energy: -1360.202 where: short stacking energy: -581.349 Base-Backbone interact. energy: 1.510 local terms energy: -619.981760 where: bonds (distance) C4'-P energy: -112.576 bonds (distance) P-C4' energy: -105.167 flat angles C4'-P-C4' energy: -135.016 flat angles P-C4'-P energy: -82.886 tors. eta vs tors. theta energy: -184.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1735.851884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.851884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.851884 (E_RNA) where: Base-Base interactions energy: -1165.703 where: short stacking energy: -498.195 Base-Backbone interact. energy: -1.884 local terms energy: -568.264396 where: bonds (distance) C4'-P energy: -115.929 bonds (distance) P-C4' energy: -109.663 flat angles C4'-P-C4' energy: -127.959 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -146.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1771.622323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.622323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.622323 (E_RNA) where: Base-Base interactions energy: -1208.092 where: short stacking energy: -500.970 Base-Backbone interact. energy: -1.411 local terms energy: -562.119283 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -116.691 flat angles P-C4'-P energy: -79.989 tors. eta vs tors. theta energy: -145.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1482.189112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.189112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.189112 (E_RNA) where: Base-Base interactions energy: -988.303 where: short stacking energy: -434.111 Base-Backbone interact. energy: -0.546 local terms energy: -493.339228 where: bonds (distance) C4'-P energy: -98.185 bonds (distance) P-C4' energy: -91.881 flat angles C4'-P-C4' energy: -112.821 flat angles P-C4'-P energy: -74.932 tors. eta vs tors. theta energy: -115.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1453.090031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.090031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.090031 (E_RNA) where: Base-Base interactions energy: -959.264 where: short stacking energy: -421.522 Base-Backbone interact. energy: -0.331 local terms energy: -493.495010 where: bonds (distance) C4'-P energy: -96.977 bonds (distance) P-C4' energy: -113.844 flat angles C4'-P-C4' energy: -109.715 flat angles P-C4'-P energy: -58.650 tors. eta vs tors. theta energy: -114.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1009.611984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.611984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.611984 (E_RNA) where: Base-Base interactions energy: -602.883 where: short stacking energy: -273.311 Base-Backbone interact. energy: -1.790 local terms energy: -404.939197 where: bonds (distance) C4'-P energy: -96.366 bonds (distance) P-C4' energy: -108.903 flat angles C4'-P-C4' energy: -91.453 flat angles P-C4'-P energy: -73.655 tors. eta vs tors. theta energy: -34.562 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: 371 Temperature: 1.300000 Total energy: -907.262342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.262342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.262342 (E_RNA) where: Base-Base interactions energy: -537.829 where: short stacking energy: -291.284 Base-Backbone interact. energy: 0.527 local terms energy: -369.961045 where: bonds (distance) C4'-P energy: -90.759 bonds (distance) P-C4' energy: -96.727 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -36.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -505.344415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.344415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.344415 (E_RNA) where: Base-Base interactions energy: -210.773 where: short stacking energy: -136.385 Base-Backbone interact. energy: -1.208 local terms energy: -293.363461 where: bonds (distance) C4'-P energy: -88.611 bonds (distance) P-C4' energy: -109.160 flat angles C4'-P-C4' energy: -79.368 flat angles P-C4'-P energy: -32.742 tors. eta vs tors. theta energy: 16.517 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: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2113.159954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.159954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.159954 (E_RNA) where: Base-Base interactions energy: -1445.626 where: short stacking energy: -635.459 Base-Backbone interact. energy: -2.802 local terms energy: -664.731479 where: bonds (distance) C4'-P energy: -122.112 bonds (distance) P-C4' energy: -116.294 flat angles C4'-P-C4' energy: -147.073 flat angles P-C4'-P energy: -88.078 tors. eta vs tors. theta energy: -191.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2035.981096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.981096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.981096 (E_RNA) where: Base-Base interactions energy: -1425.519 where: short stacking energy: -594.283 Base-Backbone interact. energy: -2.739 local terms energy: -607.722865 where: bonds (distance) C4'-P energy: -121.332 bonds (distance) P-C4' energy: -103.962 flat angles C4'-P-C4' energy: -130.542 flat angles P-C4'-P energy: -83.488 tors. eta vs tors. theta energy: -168.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1976.648431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.648431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.648431 (E_RNA) where: Base-Base interactions energy: -1356.963 where: short stacking energy: -561.216 Base-Backbone interact. energy: -2.022 local terms energy: -617.663043 where: bonds (distance) C4'-P energy: -121.930 bonds (distance) P-C4' energy: -102.685 flat angles C4'-P-C4' energy: -129.173 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -184.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1755.179223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.179223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.179223 (E_RNA) where: Base-Base interactions energy: -1172.068 where: short stacking energy: -529.012 Base-Backbone interact. energy: -0.249 local terms energy: -582.862566 where: bonds (distance) C4'-P energy: -98.523 bonds (distance) P-C4' energy: -111.864 flat angles C4'-P-C4' energy: -123.660 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -155.543 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: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1815.576101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.576101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.576101 (E_RNA) where: Base-Base interactions energy: -1283.955 where: short stacking energy: -479.267 Base-Backbone interact. energy: -1.713 local terms energy: -529.907517 where: bonds (distance) C4'-P energy: -100.202 bonds (distance) P-C4' energy: -110.894 flat angles C4'-P-C4' energy: -118.439 flat angles P-C4'-P energy: -79.854 tors. eta vs tors. theta energy: -120.518 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: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1522.012981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.012981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.012981 (E_RNA) where: Base-Base interactions energy: -1009.524 where: short stacking energy: -447.762 Base-Backbone interact. energy: -1.611 local terms energy: -510.877811 where: bonds (distance) C4'-P energy: -99.559 bonds (distance) P-C4' energy: -104.476 flat angles C4'-P-C4' energy: -112.731 flat angles P-C4'-P energy: -72.736 tors. eta vs tors. theta energy: -121.376 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: 372 Temperature: 1.200000 Total energy: -1453.748348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.748348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.748348 (E_RNA) where: Base-Base interactions energy: -928.690 where: short stacking energy: -431.467 Base-Backbone interact. energy: -1.041 local terms energy: -524.017563 where: bonds (distance) C4'-P energy: -118.649 bonds (distance) P-C4' energy: -110.706 flat angles C4'-P-C4' energy: -116.191 flat angles P-C4'-P energy: -66.841 tors. eta vs tors. theta energy: -111.631 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: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -992.136206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.136206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.136206 (E_RNA) where: Base-Base interactions energy: -631.375 where: short stacking energy: -306.959 Base-Backbone interact. energy: -1.808 local terms energy: -358.952956 where: bonds (distance) C4'-P energy: -74.901 bonds (distance) P-C4' energy: -101.754 flat angles C4'-P-C4' energy: -97.346 flat angles P-C4'-P energy: -31.280 tors. eta vs tors. theta energy: -53.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -889.843562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.843562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.843562 (E_RNA) where: Base-Base interactions energy: -527.611 where: short stacking energy: -262.191 Base-Backbone interact. energy: -0.860 local terms energy: -361.372071 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -79.909 flat angles C4'-P-C4' energy: -96.226 flat angles P-C4'-P energy: -60.279 tors. eta vs tors. theta energy: -38.490 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: 372 Temperature: 1.350000 Total energy: -537.304354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.304354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.304354 (E_RNA) where: Base-Base interactions energy: -226.447 where: short stacking energy: -152.986 Base-Backbone interact. energy: 0.830 local terms energy: -311.688113 where: bonds (distance) C4'-P energy: -82.525 bonds (distance) P-C4' energy: -111.636 flat angles C4'-P-C4' energy: -81.281 flat angles P-C4'-P energy: -31.307 tors. eta vs tors. theta energy: -4.939 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: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2096.264103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.264103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.264103 (E_RNA) where: Base-Base interactions energy: -1435.264 where: short stacking energy: -610.786 Base-Backbone interact. energy: -2.956 local terms energy: -658.044037 where: bonds (distance) C4'-P energy: -126.028 bonds (distance) P-C4' energy: -118.759 flat angles C4'-P-C4' energy: -138.576 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -184.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2006.754717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.754717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.754717 (E_RNA) where: Base-Base interactions energy: -1384.206 where: short stacking energy: -579.238 Base-Backbone interact. energy: -5.474 local terms energy: -617.074903 where: bonds (distance) C4'-P energy: -101.220 bonds (distance) P-C4' energy: -127.162 flat angles C4'-P-C4' energy: -128.162 flat angles P-C4'-P energy: -85.624 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: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1991.963843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.963843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.963843 (E_RNA) where: Base-Base interactions energy: -1380.328 where: short stacking energy: -558.161 Base-Backbone interact. energy: -2.437 local terms energy: -609.197988 where: bonds (distance) C4'-P energy: -107.740 bonds (distance) P-C4' energy: -120.177 flat angles C4'-P-C4' energy: -129.781 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -166.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1842.578795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.578795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.578795 (E_RNA) where: Base-Base interactions energy: -1286.904 where: short stacking energy: -513.045 Base-Backbone interact. energy: -2.991 local terms energy: -552.683822 where: bonds (distance) C4'-P energy: -108.766 bonds (distance) P-C4' energy: -108.565 flat angles C4'-P-C4' energy: -127.675 flat angles P-C4'-P energy: -74.779 tors. eta vs tors. theta energy: -132.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1742.298543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.298543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.298543 (E_RNA) where: Base-Base interactions energy: -1169.953 where: short stacking energy: -508.136 Base-Backbone interact. energy: -4.605 local terms energy: -567.740043 where: bonds (distance) C4'-P energy: -112.016 bonds (distance) P-C4' energy: -103.406 flat angles C4'-P-C4' energy: -124.394 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: -157.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1524.693522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.693522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.693522 (E_RNA) where: Base-Base interactions energy: -1006.137 where: short stacking energy: -440.576 Base-Backbone interact. energy: -4.313 local terms energy: -514.243451 where: bonds (distance) C4'-P energy: -96.756 bonds (distance) P-C4' energy: -114.566 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -126.154 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: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1409.335072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.335072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.335072 (E_RNA) where: Base-Base interactions energy: -945.132 where: short stacking energy: -420.458 Base-Backbone interact. energy: -4.227 local terms energy: -459.976019 where: bonds (distance) C4'-P energy: -83.695 bonds (distance) P-C4' energy: -104.498 flat angles C4'-P-C4' energy: -104.070 flat angles P-C4'-P energy: -64.584 tors. eta vs tors. theta energy: -103.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -991.644438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.644438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.644438 (E_RNA) where: Base-Base interactions energy: -595.813 where: short stacking energy: -290.533 Base-Backbone interact. energy: -0.864 local terms energy: -394.967698 where: bonds (distance) C4'-P energy: -86.198 bonds (distance) P-C4' energy: -94.613 flat angles C4'-P-C4' energy: -95.385 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: -52.286 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: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -941.240168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.240168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.240168 (E_RNA) where: Base-Base interactions energy: -569.158 where: short stacking energy: -267.719 Base-Backbone interact. energy: -1.619 local terms energy: -370.463151 where: bonds (distance) C4'-P energy: -83.987 bonds (distance) P-C4' energy: -111.104 flat angles C4'-P-C4' energy: -91.366 flat angles P-C4'-P energy: -58.504 tors. eta vs tors. theta energy: -25.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -497.600884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.600884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.600884 (E_RNA) where: Base-Base interactions energy: -219.227 where: short stacking energy: -150.178 Base-Backbone interact. energy: 3.007 local terms energy: -281.380602 where: bonds (distance) C4'-P energy: -77.380 bonds (distance) P-C4' energy: -98.271 flat angles C4'-P-C4' energy: -84.445 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: 29.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2092.540134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.540134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.540134 (E_RNA) where: Base-Base interactions energy: -1442.687 where: short stacking energy: -608.862 Base-Backbone interact. energy: 1.709 local terms energy: -651.562361 where: bonds (distance) C4'-P energy: -114.558 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -145.354 flat angles P-C4'-P energy: -99.090 tors. eta vs tors. theta energy: -177.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1996.909874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.909874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.909874 (E_RNA) where: Base-Base interactions energy: -1381.985 where: short stacking energy: -574.334 Base-Backbone interact. energy: -4.116 local terms energy: -610.808821 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -113.493 flat angles C4'-P-C4' energy: -125.590 flat angles P-C4'-P energy: -84.294 tors. eta vs tors. theta energy: -167.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1972.122561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.122561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.122561 (E_RNA) where: Base-Base interactions energy: -1367.675 where: short stacking energy: -581.766 Base-Backbone interact. energy: -1.905 local terms energy: -602.543135 where: bonds (distance) C4'-P energy: -109.564 bonds (distance) P-C4' energy: -119.933 flat angles C4'-P-C4' energy: -125.400 flat angles P-C4'-P energy: -83.026 tors. eta vs tors. theta energy: -164.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1849.890320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.890320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.890320 (E_RNA) where: Base-Base interactions energy: -1297.313 where: short stacking energy: -517.994 Base-Backbone interact. energy: -2.040 local terms energy: -550.537367 where: bonds (distance) C4'-P energy: -95.982 bonds (distance) P-C4' energy: -98.448 flat angles C4'-P-C4' energy: -125.279 flat angles P-C4'-P energy: -81.474 tors. eta vs tors. theta energy: -149.354 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: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1694.849008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.849008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.849008 (E_RNA) where: Base-Base interactions energy: -1164.233 where: short stacking energy: -513.341 Base-Backbone interact. energy: -1.951 local terms energy: -528.665082 where: bonds (distance) C4'-P energy: -92.025 bonds (distance) P-C4' energy: -111.342 flat angles C4'-P-C4' energy: -109.657 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -138.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1549.840666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.840666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.840666 (E_RNA) where: Base-Base interactions energy: -1034.984 where: short stacking energy: -440.576 Base-Backbone interact. energy: -3.261 local terms energy: -511.595475 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -115.937 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -53.269 tors. eta vs tors. theta energy: -125.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1380.306106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.306106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.306106 (E_RNA) where: Base-Base interactions energy: -923.006 where: short stacking energy: -409.031 Base-Backbone interact. energy: -0.006 local terms energy: -457.294533 where: bonds (distance) C4'-P energy: -100.075 bonds (distance) P-C4' energy: -99.403 flat angles C4'-P-C4' energy: -105.006 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -107.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -980.115114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.115114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.115114 (E_RNA) where: Base-Base interactions energy: -603.334 where: short stacking energy: -274.430 Base-Backbone interact. energy: -2.874 local terms energy: -373.907007 where: bonds (distance) C4'-P energy: -95.765 bonds (distance) P-C4' energy: -98.352 flat angles C4'-P-C4' energy: -103.351 flat angles P-C4'-P energy: -59.980 tors. eta vs tors. theta energy: -16.459 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: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -939.059275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.059275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.059275 (E_RNA) where: Base-Base interactions energy: -589.023 where: short stacking energy: -274.283 Base-Backbone interact. energy: -0.260 local terms energy: -349.776005 where: bonds (distance) C4'-P energy: -92.998 bonds (distance) P-C4' energy: -86.215 flat angles C4'-P-C4' energy: -85.179 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -28.195 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: 374 Temperature: 1.350000 Total energy: -529.483518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.483518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.483518 (E_RNA) where: Base-Base interactions energy: -214.431 where: short stacking energy: -148.575 Base-Backbone interact. energy: 0.597 local terms energy: -315.649308 where: bonds (distance) C4'-P energy: -82.001 bonds (distance) P-C4' energy: -111.721 flat angles C4'-P-C4' energy: -91.667 flat angles P-C4'-P energy: -39.117 tors. eta vs tors. theta energy: 8.857 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: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2075.393633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.393633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.393633 (E_RNA) where: Base-Base interactions energy: -1433.104 where: short stacking energy: -608.635 Base-Backbone interact. energy: -1.296 local terms energy: -640.993939 where: bonds (distance) C4'-P energy: -112.134 bonds (distance) P-C4' energy: -126.327 flat angles C4'-P-C4' energy: -124.786 flat angles P-C4'-P energy: -97.080 tors. eta vs tors. theta energy: -180.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2005.699056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.699056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.699056 (E_RNA) where: Base-Base interactions energy: -1390.957 where: short stacking energy: -569.154 Base-Backbone interact. energy: -2.752 local terms energy: -611.989284 where: bonds (distance) C4'-P energy: -108.961 bonds (distance) P-C4' energy: -119.717 flat angles C4'-P-C4' energy: -128.754 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -170.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1976.132542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.132542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.132542 (E_RNA) where: Base-Base interactions energy: -1355.447 where: short stacking energy: -585.417 Base-Backbone interact. energy: -1.504 local terms energy: -619.181556 where: bonds (distance) C4'-P energy: -104.423 bonds (distance) P-C4' energy: -106.033 flat angles C4'-P-C4' energy: -132.853 flat angles P-C4'-P energy: -96.441 tors. eta vs tors. theta energy: -179.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1851.924049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.924049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.924049 (E_RNA) where: Base-Base interactions energy: -1303.232 where: short stacking energy: -508.863 Base-Backbone interact. energy: -3.476 local terms energy: -545.215892 where: bonds (distance) C4'-P energy: -120.775 bonds (distance) P-C4' energy: -96.066 flat angles C4'-P-C4' energy: -126.390 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -142.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1744.083699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.083699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.083699 (E_RNA) where: Base-Base interactions energy: -1177.980 where: short stacking energy: -507.193 Base-Backbone interact. energy: -2.656 local terms energy: -563.448362 where: bonds (distance) C4'-P energy: -105.830 bonds (distance) P-C4' energy: -121.905 flat angles C4'-P-C4' energy: -119.538 flat angles P-C4'-P energy: -84.960 tors. eta vs tors. theta energy: -131.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1540.326105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.326105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.326105 (E_RNA) where: Base-Base interactions energy: -1010.345 where: short stacking energy: -455.957 Base-Backbone interact. energy: 0.061 local terms energy: -530.042109 where: bonds (distance) C4'-P energy: -94.411 bonds (distance) P-C4' energy: -100.621 flat angles C4'-P-C4' energy: -119.885 flat angles P-C4'-P energy: -82.472 tors. eta vs tors. theta energy: -132.653 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: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1381.397599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.397599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.397599 (E_RNA) where: Base-Base interactions energy: -897.073 where: short stacking energy: -398.707 Base-Backbone interact. energy: -2.824 local terms energy: -481.501240 where: bonds (distance) C4'-P energy: -89.696 bonds (distance) P-C4' energy: -94.835 flat angles C4'-P-C4' energy: -114.283 flat angles P-C4'-P energy: -68.593 tors. eta vs tors. theta energy: -114.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1013.206051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.206051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.206051 (E_RNA) where: Base-Base interactions energy: -598.054 where: short stacking energy: -289.653 Base-Backbone interact. energy: -2.096 local terms energy: -413.055604 where: bonds (distance) C4'-P energy: -93.394 bonds (distance) P-C4' energy: -92.882 flat angles C4'-P-C4' energy: -106.128 flat angles P-C4'-P energy: -66.457 tors. eta vs tors. theta energy: -54.194 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: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -955.823150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.823150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.823150 (E_RNA) where: Base-Base interactions energy: -552.665 where: short stacking energy: -245.957 Base-Backbone interact. energy: 0.019 local terms energy: -403.177592 where: bonds (distance) C4'-P energy: -99.947 bonds (distance) P-C4' energy: -103.695 flat angles C4'-P-C4' energy: -96.907 flat angles P-C4'-P energy: -71.596 tors. eta vs tors. theta energy: -31.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -512.529901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.529901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.529901 (E_RNA) where: Base-Base interactions energy: -217.920 where: short stacking energy: -150.809 Base-Backbone interact. energy: 3.688 local terms energy: -298.297991 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -120.090 flat angles C4'-P-C4' energy: -83.695 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: 21.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2043.223795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.223795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.223795 (E_RNA) where: Base-Base interactions energy: -1404.703 where: short stacking energy: -595.913 Base-Backbone interact. energy: -2.811 local terms energy: -635.709488 where: bonds (distance) C4'-P energy: -133.775 bonds (distance) P-C4' energy: -112.709 flat angles C4'-P-C4' energy: -133.860 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -179.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2054.988760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.988760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.988760 (E_RNA) where: Base-Base interactions energy: -1441.042 where: short stacking energy: -604.290 Base-Backbone interact. energy: -0.298 local terms energy: -613.648655 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -120.190 flat angles C4'-P-C4' energy: -116.777 flat angles P-C4'-P energy: -99.556 tors. eta vs tors. theta energy: -168.409 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1982.387676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.387676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.387676 (E_RNA) where: Base-Base interactions energy: -1360.887 where: short stacking energy: -593.248 Base-Backbone interact. energy: -0.182 local terms energy: -621.319007 where: bonds (distance) C4'-P energy: -107.315 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -131.225 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -178.253 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: 376 Temperature: 1.050000 Total energy: -1849.705325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.705325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.705325 (E_RNA) where: Base-Base interactions energy: -1280.862 where: short stacking energy: -532.051 Base-Backbone interact. energy: -1.043 local terms energy: -567.800251 where: bonds (distance) C4'-P energy: -101.755 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -122.916 flat angles P-C4'-P energy: -88.467 tors. eta vs tors. theta energy: -155.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1707.806023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.806023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.806023 (E_RNA) where: Base-Base interactions energy: -1164.312 where: short stacking energy: -518.096 Base-Backbone interact. energy: -1.914 local terms energy: -541.579977 where: bonds (distance) C4'-P energy: -91.771 bonds (distance) P-C4' energy: -103.228 flat angles C4'-P-C4' energy: -122.824 flat angles P-C4'-P energy: -80.481 tors. eta vs tors. theta energy: -143.276 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: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1517.511849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.511849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.511849 (E_RNA) where: Base-Base interactions energy: -1005.219 where: short stacking energy: -440.097 Base-Backbone interact. energy: -0.926 local terms energy: -511.366409 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -101.859 flat angles C4'-P-C4' energy: -124.695 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: -117.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1361.071392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.071392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.071392 (E_RNA) where: Base-Base interactions energy: -870.560 where: short stacking energy: -384.409 Base-Backbone interact. energy: 0.001 local terms energy: -490.512513 where: bonds (distance) C4'-P energy: -108.559 bonds (distance) P-C4' energy: -102.847 flat angles C4'-P-C4' energy: -117.755 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -91.391 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: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1041.171598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.171598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.171598 (E_RNA) where: Base-Base interactions energy: -607.418 where: short stacking energy: -286.354 Base-Backbone interact. energy: 6.121 local terms energy: -439.874762 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -106.624 flat angles C4'-P-C4' energy: -102.654 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -58.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -961.011046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.011046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.011046 (E_RNA) where: Base-Base interactions energy: -563.714 where: short stacking energy: -280.943 Base-Backbone interact. energy: -2.002 local terms energy: -395.295316 where: bonds (distance) C4'-P energy: -92.527 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -64.864 tors. eta vs tors. theta energy: -49.237 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: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -538.052569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.052569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.052569 (E_RNA) where: Base-Base interactions energy: -224.293 where: short stacking energy: -154.780 Base-Backbone interact. energy: 0.438 local terms energy: -314.197365 where: bonds (distance) C4'-P energy: -91.147 bonds (distance) P-C4' energy: -114.231 flat angles C4'-P-C4' energy: -60.796 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: 7.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2044.581392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.581392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.581392 (E_RNA) where: Base-Base interactions energy: -1385.834 where: short stacking energy: -585.727 Base-Backbone interact. energy: -4.046 local terms energy: -654.701555 where: bonds (distance) C4'-P energy: -130.098 bonds (distance) P-C4' energy: -123.503 flat angles C4'-P-C4' energy: -133.014 flat angles P-C4'-P energy: -91.194 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: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2049.849345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.849345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.849345 (E_RNA) where: Base-Base interactions energy: -1430.464 where: short stacking energy: -600.993 Base-Backbone interact. energy: -4.652 local terms energy: -614.732917 where: bonds (distance) C4'-P energy: -103.137 bonds (distance) P-C4' energy: -123.897 flat angles C4'-P-C4' energy: -138.608 flat angles P-C4'-P energy: -84.279 tors. eta vs tors. theta energy: -164.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2002.404624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.404624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.404624 (E_RNA) where: Base-Base interactions energy: -1373.677 where: short stacking energy: -558.256 Base-Backbone interact. energy: 1.948 local terms energy: -630.675539 where: bonds (distance) C4'-P energy: -113.492 bonds (distance) P-C4' energy: -120.244 flat angles C4'-P-C4' energy: -130.696 flat angles P-C4'-P energy: -88.977 tors. eta vs tors. theta energy: -177.267 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: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1871.856623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.856623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.856623 (E_RNA) where: Base-Base interactions energy: -1298.332 where: short stacking energy: -518.899 Base-Backbone interact. energy: -0.218 local terms energy: -573.307054 where: bonds (distance) C4'-P energy: -108.071 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -122.586 flat angles P-C4'-P energy: -78.514 tors. eta vs tors. theta energy: -154.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1682.041457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.041457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.041457 (E_RNA) where: Base-Base interactions energy: -1137.833 where: short stacking energy: -507.687 Base-Backbone interact. energy: -2.118 local terms energy: -542.090040 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -115.114 flat angles C4'-P-C4' energy: -112.881 flat angles P-C4'-P energy: -67.514 tors. eta vs tors. theta energy: -144.834 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: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1541.153423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.153423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.153423 (E_RNA) where: Base-Base interactions energy: -980.345 where: short stacking energy: -424.674 Base-Backbone interact. energy: 0.289 local terms energy: -561.097888 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -120.420 flat angles C4'-P-C4' energy: -113.545 flat angles P-C4'-P energy: -90.305 tors. eta vs tors. theta energy: -125.071 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: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1372.796339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.796339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.796339 (E_RNA) where: Base-Base interactions energy: -913.772 where: short stacking energy: -416.237 Base-Backbone interact. energy: -2.532 local terms energy: -456.492499 where: bonds (distance) C4'-P energy: -100.619 bonds (distance) P-C4' energy: -89.450 flat angles C4'-P-C4' energy: -113.177 flat angles P-C4'-P energy: -55.016 tors. eta vs tors. theta energy: -98.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1154.633360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.633360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.633360 (E_RNA) where: Base-Base interactions energy: -725.350 where: short stacking energy: -309.435 Base-Backbone interact. energy: 7.977 local terms energy: -437.260011 where: bonds (distance) C4'-P energy: -96.442 bonds (distance) P-C4' energy: -104.423 flat angles C4'-P-C4' energy: -108.684 flat angles P-C4'-P energy: -54.857 tors. eta vs tors. theta energy: -72.854 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: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -951.404187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.404187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.404187 (E_RNA) where: Base-Base interactions energy: -558.314 where: short stacking energy: -260.505 Base-Backbone interact. energy: -3.805 local terms energy: -389.285125 where: bonds (distance) C4'-P energy: -95.525 bonds (distance) P-C4' energy: -99.411 flat angles C4'-P-C4' energy: -80.564 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -45.843 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: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -565.678619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.678619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.678619 (E_RNA) where: Base-Base interactions energy: -241.232 where: short stacking energy: -152.395 Base-Backbone interact. energy: -3.167 local terms energy: -321.280307 where: bonds (distance) C4'-P energy: -104.048 bonds (distance) P-C4' energy: -107.621 flat angles C4'-P-C4' energy: -87.335 flat angles P-C4'-P energy: -34.159 tors. eta vs tors. theta energy: 11.884 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: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2108.817093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.817093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.817093 (E_RNA) where: Base-Base interactions energy: -1472.385 where: short stacking energy: -599.443 Base-Backbone interact. energy: -0.519 local terms energy: -635.913254 where: bonds (distance) C4'-P energy: -110.402 bonds (distance) P-C4' energy: -116.852 flat angles C4'-P-C4' energy: -142.272 flat angles P-C4'-P energy: -95.365 tors. eta vs tors. theta energy: -171.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2014.154622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.154622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.154622 (E_RNA) where: Base-Base interactions energy: -1396.720 where: short stacking energy: -577.361 Base-Backbone interact. energy: -1.489 local terms energy: -615.944781 where: bonds (distance) C4'-P energy: -124.325 bonds (distance) P-C4' energy: -119.233 flat angles C4'-P-C4' energy: -116.748 flat angles P-C4'-P energy: -80.400 tors. eta vs tors. theta energy: -175.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1992.707979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.707979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.707979 (E_RNA) where: Base-Base interactions energy: -1383.229 where: short stacking energy: -574.209 Base-Backbone interact. energy: -1.657 local terms energy: -607.822096 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -105.983 flat angles C4'-P-C4' energy: -130.445 flat angles P-C4'-P energy: -86.236 tors. eta vs tors. theta energy: -173.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1895.534289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.534289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.534289 (E_RNA) where: Base-Base interactions energy: -1312.153 where: short stacking energy: -563.507 Base-Backbone interact. energy: -3.114 local terms energy: -580.266847 where: bonds (distance) C4'-P energy: -98.343 bonds (distance) P-C4' energy: -101.502 flat angles C4'-P-C4' energy: -128.937 flat angles P-C4'-P energy: -82.822 tors. eta vs tors. theta energy: -168.663 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: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1677.968533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.968533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.968533 (E_RNA) where: Base-Base interactions energy: -1141.231 where: short stacking energy: -515.310 Base-Backbone interact. energy: -2.619 local terms energy: -534.118054 where: bonds (distance) C4'-P energy: -99.800 bonds (distance) P-C4' energy: -97.379 flat angles C4'-P-C4' energy: -125.698 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -142.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1513.457773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.457773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.457773 (E_RNA) where: Base-Base interactions energy: -1010.700 where: short stacking energy: -446.363 Base-Backbone interact. energy: -2.352 local terms energy: -500.406016 where: bonds (distance) C4'-P energy: -102.598 bonds (distance) P-C4' energy: -113.864 flat angles C4'-P-C4' energy: -103.456 flat angles P-C4'-P energy: -63.859 tors. eta vs tors. theta energy: -116.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1397.587604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.587604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.587604 (E_RNA) where: Base-Base interactions energy: -931.969 where: short stacking energy: -399.129 Base-Backbone interact. energy: -1.366 local terms energy: -464.253080 where: bonds (distance) C4'-P energy: -84.665 bonds (distance) P-C4' energy: -103.731 flat angles C4'-P-C4' energy: -112.765 flat angles P-C4'-P energy: -65.734 tors. eta vs tors. theta energy: -97.357 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1170.276795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.276795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.276795 (E_RNA) where: Base-Base interactions energy: -734.327 where: short stacking energy: -312.350 Base-Backbone interact. energy: 2.581 local terms energy: -438.531662 where: bonds (distance) C4'-P energy: -98.574 bonds (distance) P-C4' energy: -109.084 flat angles C4'-P-C4' energy: -97.746 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -57.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -918.391959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.391959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.391959 (E_RNA) where: Base-Base interactions energy: -544.978 where: short stacking energy: -262.802 Base-Backbone interact. energy: 8.368 local terms energy: -381.781333 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -94.560 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -53.557 tors. eta vs tors. theta energy: -32.280 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: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -562.954634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.954634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.954634 (E_RNA) where: Base-Base interactions energy: -243.850 where: short stacking energy: -143.555 Base-Backbone interact. energy: -1.940 local terms energy: -317.163744 where: bonds (distance) C4'-P energy: -92.157 bonds (distance) P-C4' energy: -97.178 flat angles C4'-P-C4' energy: -79.821 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: 6.292 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: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2108.954642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.954642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.954642 (E_RNA) where: Base-Base interactions energy: -1466.603 where: short stacking energy: -612.820 Base-Backbone interact. energy: -3.913 local terms energy: -638.438897 where: bonds (distance) C4'-P energy: -123.254 bonds (distance) P-C4' energy: -110.515 flat angles C4'-P-C4' energy: -131.035 flat angles P-C4'-P energy: -93.697 tors. eta vs tors. theta energy: -179.938 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: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2050.890486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.890486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.890486 (E_RNA) where: Base-Base interactions energy: -1445.268 where: short stacking energy: -608.603 Base-Backbone interact. energy: -4.724 local terms energy: -600.898549 where: bonds (distance) C4'-P energy: -118.448 bonds (distance) P-C4' energy: -124.177 flat angles C4'-P-C4' energy: -109.614 flat angles P-C4'-P energy: -74.854 tors. eta vs tors. theta energy: -173.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1962.575930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.575930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.575930 (E_RNA) where: Base-Base interactions energy: -1346.916 where: short stacking energy: -568.800 Base-Backbone interact. energy: 0.450 local terms energy: -616.110658 where: bonds (distance) C4'-P energy: -101.563 bonds (distance) P-C4' energy: -125.326 flat angles C4'-P-C4' energy: -128.051 flat angles P-C4'-P energy: -94.230 tors. eta vs tors. theta energy: -166.941 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: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1904.814725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.814725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.814725 (E_RNA) where: Base-Base interactions energy: -1331.128 where: short stacking energy: -566.927 Base-Backbone interact. energy: -2.071 local terms energy: -571.615539 where: bonds (distance) C4'-P energy: -91.448 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -129.791 flat angles P-C4'-P energy: -89.695 tors. eta vs tors. theta energy: -155.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1733.937559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.937559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.937559 (E_RNA) where: Base-Base interactions energy: -1171.768 where: short stacking energy: -528.978 Base-Backbone interact. energy: -1.714 local terms energy: -560.456038 where: bonds (distance) C4'-P energy: -92.234 bonds (distance) P-C4' energy: -100.304 flat angles C4'-P-C4' energy: -135.521 flat angles P-C4'-P energy: -80.750 tors. eta vs tors. theta energy: -151.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1525.286171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.286171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.286171 (E_RNA) where: Base-Base interactions energy: -1001.757 where: short stacking energy: -448.768 Base-Backbone interact. energy: 0.408 local terms energy: -523.937549 where: bonds (distance) C4'-P energy: -111.935 bonds (distance) P-C4' energy: -110.006 flat angles C4'-P-C4' energy: -117.815 flat angles P-C4'-P energy: -61.464 tors. eta vs tors. theta energy: -122.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1335.456599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.456599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.456599 (E_RNA) where: Base-Base interactions energy: -876.567 where: short stacking energy: -380.839 Base-Backbone interact. energy: -1.741 local terms energy: -457.148068 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -111.240 flat angles P-C4'-P energy: -56.748 tors. eta vs tors. theta energy: -94.326 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: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1159.954659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.954659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.954659 (E_RNA) where: Base-Base interactions energy: -720.085 where: short stacking energy: -331.478 Base-Backbone interact. energy: -2.058 local terms energy: -437.811752 where: bonds (distance) C4'-P energy: -98.537 bonds (distance) P-C4' energy: -99.791 flat angles C4'-P-C4' energy: -103.343 flat angles P-C4'-P energy: -71.830 tors. eta vs tors. theta energy: -64.311 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: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -921.331804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.331804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.331804 (E_RNA) where: Base-Base interactions energy: -546.228 where: short stacking energy: -281.851 Base-Backbone interact. energy: -1.771 local terms energy: -373.332479 where: bonds (distance) C4'-P energy: -84.720 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -111.582 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -32.517 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: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -520.900971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.900971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.900971 (E_RNA) where: Base-Base interactions energy: -245.442 where: short stacking energy: -156.336 Base-Backbone interact. energy: 3.044 local terms energy: -278.502490 where: bonds (distance) C4'-P energy: -90.786 bonds (distance) P-C4' energy: -87.462 flat angles C4'-P-C4' energy: -68.446 flat angles P-C4'-P energy: -42.433 tors. eta vs tors. theta energy: 10.625 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2134.598216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.598216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.598216 (E_RNA) where: Base-Base interactions energy: -1496.025 where: short stacking energy: -615.385 Base-Backbone interact. energy: -2.045 local terms energy: -636.527868 where: bonds (distance) C4'-P energy: -120.279 bonds (distance) P-C4' energy: -119.707 flat angles C4'-P-C4' energy: -131.612 flat angles P-C4'-P energy: -91.849 tors. eta vs tors. theta energy: -173.082 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: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2052.549380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.549380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.549380 (E_RNA) where: Base-Base interactions energy: -1412.109 where: short stacking energy: -590.883 Base-Backbone interact. energy: -3.305 local terms energy: -637.134834 where: bonds (distance) C4'-P energy: -113.706 bonds (distance) P-C4' energy: -129.110 flat angles C4'-P-C4' energy: -130.366 flat angles P-C4'-P energy: -83.557 tors. eta vs tors. theta energy: -180.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1934.172782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.172782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.172782 (E_RNA) where: Base-Base interactions energy: -1324.167 where: short stacking energy: -575.323 Base-Backbone interact. energy: -4.756 local terms energy: -605.249375 where: bonds (distance) C4'-P energy: -101.673 bonds (distance) P-C4' energy: -119.373 flat angles C4'-P-C4' energy: -131.293 flat angles P-C4'-P energy: -83.721 tors. eta vs tors. theta energy: -169.190 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: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1860.021142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.021142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.021142 (E_RNA) where: Base-Base interactions energy: -1339.672 where: short stacking energy: -526.817 Base-Backbone interact. energy: -0.958 local terms energy: -519.391375 where: bonds (distance) C4'-P energy: -98.689 bonds (distance) P-C4' energy: -93.493 flat angles C4'-P-C4' energy: -110.126 flat angles P-C4'-P energy: -67.221 tors. eta vs tors. theta energy: -149.862 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: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1693.404088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.404088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.404088 (E_RNA) where: Base-Base interactions energy: -1154.852 where: short stacking energy: -505.073 Base-Backbone interact. energy: -2.736 local terms energy: -535.815691 where: bonds (distance) C4'-P energy: -105.828 bonds (distance) P-C4' energy: -102.884 flat angles C4'-P-C4' energy: -112.376 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -137.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1535.319645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.319645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.319645 (E_RNA) where: Base-Base interactions energy: -1015.993 where: short stacking energy: -454.459 Base-Backbone interact. energy: -1.702 local terms energy: -517.625422 where: bonds (distance) C4'-P energy: -101.452 bonds (distance) P-C4' energy: -120.861 flat angles C4'-P-C4' energy: -101.293 flat angles P-C4'-P energy: -69.962 tors. eta vs tors. theta energy: -124.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1418.015964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.015964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.015964 (E_RNA) where: Base-Base interactions energy: -943.883 where: short stacking energy: -416.715 Base-Backbone interact. energy: 1.476 local terms energy: -475.608817 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -103.251 flat angles C4'-P-C4' energy: -104.931 flat angles P-C4'-P energy: -77.435 tors. eta vs tors. theta energy: -96.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1243.858816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.858816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.858816 (E_RNA) where: Base-Base interactions energy: -816.428 where: short stacking energy: -369.810 Base-Backbone interact. energy: 5.460 local terms energy: -432.891200 where: bonds (distance) C4'-P energy: -95.358 bonds (distance) P-C4' energy: -94.640 flat angles C4'-P-C4' energy: -84.916 flat angles P-C4'-P energy: -68.966 tors. eta vs tors. theta energy: -89.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -884.020914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.020914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.020914 (E_RNA) where: Base-Base interactions energy: -523.625 where: short stacking energy: -231.440 Base-Backbone interact. energy: -3.476 local terms energy: -356.919897 where: bonds (distance) C4'-P energy: -96.902 bonds (distance) P-C4' energy: -109.382 flat angles C4'-P-C4' energy: -78.919 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: -15.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -594.142387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.142387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.142387 (E_RNA) where: Base-Base interactions energy: -274.730 where: short stacking energy: -163.904 Base-Backbone interact. energy: -0.552 local terms energy: -318.860590 where: bonds (distance) C4'-P energy: -99.904 bonds (distance) P-C4' energy: -84.887 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -46.599 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2157.305473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.305473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.305473 (E_RNA) where: Base-Base interactions energy: -1509.359 where: short stacking energy: -613.854 Base-Backbone interact. energy: 2.901 local terms energy: -650.847863 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -119.774 flat angles C4'-P-C4' energy: -132.564 flat angles P-C4'-P energy: -94.265 tors. eta vs tors. theta energy: -179.391 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: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2053.190320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.190320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.190320 (E_RNA) where: Base-Base interactions energy: -1450.268 where: short stacking energy: -623.990 Base-Backbone interact. energy: -2.981 local terms energy: -599.941447 where: bonds (distance) C4'-P energy: -99.308 bonds (distance) P-C4' energy: -112.617 flat angles C4'-P-C4' energy: -125.687 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -180.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1946.971928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.971928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.971928 (E_RNA) where: Base-Base interactions energy: -1337.447 where: short stacking energy: -559.544 Base-Backbone interact. energy: -0.501 local terms energy: -609.023683 where: bonds (distance) C4'-P energy: -118.625 bonds (distance) P-C4' energy: -106.564 flat angles C4'-P-C4' energy: -121.323 flat angles P-C4'-P energy: -92.557 tors. eta vs tors. theta energy: -169.955 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: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1913.978688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.978688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.978688 (E_RNA) where: Base-Base interactions energy: -1311.214 where: short stacking energy: -549.909 Base-Backbone interact. energy: -2.601 local terms energy: -600.162994 where: bonds (distance) C4'-P energy: -121.706 bonds (distance) P-C4' energy: -98.710 flat angles C4'-P-C4' energy: -128.181 flat angles P-C4'-P energy: -84.737 tors. eta vs tors. theta energy: -166.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1666.568184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.568184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.568184 (E_RNA) where: Base-Base interactions energy: -1117.843 where: short stacking energy: -463.337 Base-Backbone interact. energy: -2.211 local terms energy: -546.513875 where: bonds (distance) C4'-P energy: -99.274 bonds (distance) P-C4' energy: -99.793 flat angles C4'-P-C4' energy: -128.566 flat angles P-C4'-P energy: -86.983 tors. eta vs tors. theta energy: -131.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1509.385422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.385422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.385422 (E_RNA) where: Base-Base interactions energy: -997.481 where: short stacking energy: -458.140 Base-Backbone interact. energy: -1.211 local terms energy: -510.693665 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -116.991 flat angles C4'-P-C4' energy: -100.162 flat angles P-C4'-P energy: -79.792 tors. eta vs tors. theta energy: -125.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1425.139880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.139880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.139880 (E_RNA) where: Base-Base interactions energy: -935.444 where: short stacking energy: -394.615 Base-Backbone interact. energy: -3.029 local terms energy: -486.667256 where: bonds (distance) C4'-P energy: -96.428 bonds (distance) P-C4' energy: -103.957 flat angles C4'-P-C4' energy: -109.740 flat angles P-C4'-P energy: -68.073 tors. eta vs tors. theta energy: -108.470 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: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1232.767520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.767520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.767520 (E_RNA) where: Base-Base interactions energy: -819.949 where: short stacking energy: -364.644 Base-Backbone interact. energy: -1.587 local terms energy: -411.231017 where: bonds (distance) C4'-P energy: -99.133 bonds (distance) P-C4' energy: -96.326 flat angles C4'-P-C4' energy: -107.120 flat angles P-C4'-P energy: -45.262 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: 9, replica: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -949.741440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.741440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.741440 (E_RNA) where: Base-Base interactions energy: -562.408 where: short stacking energy: -266.635 Base-Backbone interact. energy: -0.008 local terms energy: -387.325859 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -101.242 flat angles C4'-P-C4' energy: -96.616 flat angles P-C4'-P energy: -59.368 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -559.925366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.925366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.925366 (E_RNA) where: Base-Base interactions energy: -275.872 where: short stacking energy: -182.412 Base-Backbone interact. energy: -2.006 local terms energy: -282.047206 where: bonds (distance) C4'-P energy: -102.003 bonds (distance) P-C4' energy: -77.378 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -36.435 tors. eta vs tors. theta energy: 1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2152.714305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.714305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.714305 (E_RNA) where: Base-Base interactions energy: -1500.486 where: short stacking energy: -613.468 Base-Backbone interact. energy: 2.861 local terms energy: -655.089888 where: bonds (distance) C4'-P energy: -115.014 bonds (distance) P-C4' energy: -120.661 flat angles C4'-P-C4' energy: -135.234 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -186.757 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: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2035.277751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.277751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.277751 (E_RNA) where: Base-Base interactions energy: -1422.824 where: short stacking energy: -592.751 Base-Backbone interact. energy: -4.457 local terms energy: -607.996385 where: bonds (distance) C4'-P energy: -107.580 bonds (distance) P-C4' energy: -115.291 flat angles C4'-P-C4' energy: -125.905 flat angles P-C4'-P energy: -84.441 tors. eta vs tors. theta energy: -174.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1958.963600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.963600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.963600 (E_RNA) where: Base-Base interactions energy: -1341.607 where: short stacking energy: -597.087 Base-Backbone interact. energy: -2.237 local terms energy: -615.119519 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -118.190 flat angles C4'-P-C4' energy: -137.513 flat angles P-C4'-P energy: -93.891 tors. eta vs tors. theta energy: -171.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1871.479681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.479681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.479681 (E_RNA) where: Base-Base interactions energy: -1299.442 where: short stacking energy: -536.500 Base-Backbone interact. energy: -1.102 local terms energy: -570.934813 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -108.572 flat angles C4'-P-C4' energy: -117.023 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -143.560 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: 382 Temperature: 1.100000 Total energy: -1687.618492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.618492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.618492 (E_RNA) where: Base-Base interactions energy: -1130.147 where: short stacking energy: -471.638 Base-Backbone interact. energy: -1.299 local terms energy: -556.172353 where: bonds (distance) C4'-P energy: -102.931 bonds (distance) P-C4' energy: -115.239 flat angles C4'-P-C4' energy: -122.424 flat angles P-C4'-P energy: -78.793 tors. eta vs tors. theta energy: -136.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1516.589799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.589799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.589799 (E_RNA) where: Base-Base interactions energy: -985.498 where: short stacking energy: -445.124 Base-Backbone interact. energy: 4.472 local terms energy: -535.563626 where: bonds (distance) C4'-P energy: -112.109 bonds (distance) P-C4' energy: -111.975 flat angles C4'-P-C4' energy: -112.499 flat angles P-C4'-P energy: -79.704 tors. eta vs tors. theta energy: -119.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1386.866168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.866168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.866168 (E_RNA) where: Base-Base interactions energy: -918.346 where: short stacking energy: -414.650 Base-Backbone interact. energy: 0.091 local terms energy: -468.611761 where: bonds (distance) C4'-P energy: -83.525 bonds (distance) P-C4' energy: -88.471 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -77.240 tors. eta vs tors. theta energy: -111.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1082.435695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.435695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.435695 (E_RNA) where: Base-Base interactions energy: -691.435 where: short stacking energy: -307.842 Base-Backbone interact. energy: -1.510 local terms energy: -389.491045 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -95.899 flat angles C4'-P-C4' energy: -93.349 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -46.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -994.925922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.925922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.925922 (E_RNA) where: Base-Base interactions energy: -611.897 where: short stacking energy: -270.937 Base-Backbone interact. energy: -5.231 local terms energy: -377.798048 where: bonds (distance) C4'-P energy: -86.440 bonds (distance) P-C4' energy: -104.386 flat angles C4'-P-C4' energy: -91.376 flat angles P-C4'-P energy: -54.375 tors. eta vs tors. theta energy: -41.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -563.170164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.170164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.170164 (E_RNA) where: Base-Base interactions energy: -268.535 where: short stacking energy: -153.489 Base-Backbone interact. energy: -1.717 local terms energy: -292.918383 where: bonds (distance) C4'-P energy: -73.707 bonds (distance) P-C4' energy: -111.755 flat angles C4'-P-C4' energy: -80.009 flat angles P-C4'-P energy: -39.524 tors. eta vs tors. theta energy: 12.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2142.583242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.583242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.583242 (E_RNA) where: Base-Base interactions energy: -1489.473 where: short stacking energy: -620.807 Base-Backbone interact. energy: -0.141 local terms energy: -652.969719 where: bonds (distance) C4'-P energy: -114.559 bonds (distance) P-C4' energy: -118.717 flat angles C4'-P-C4' energy: -140.805 flat angles P-C4'-P energy: -97.024 tors. eta vs tors. theta energy: -181.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2012.257251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.257251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.257251 (E_RNA) where: Base-Base interactions energy: -1397.522 where: short stacking energy: -588.166 Base-Backbone interact. energy: -1.124 local terms energy: -613.611209 where: bonds (distance) C4'-P energy: -109.239 bonds (distance) P-C4' energy: -118.994 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -85.816 tors. eta vs tors. theta energy: -167.899 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: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1926.431986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.431986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.431986 (E_RNA) where: Base-Base interactions energy: -1327.029 where: short stacking energy: -553.913 Base-Backbone interact. energy: -3.087 local terms energy: -596.315593 where: bonds (distance) C4'-P energy: -107.956 bonds (distance) P-C4' energy: -108.430 flat angles C4'-P-C4' energy: -125.917 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -168.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1873.920699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.920699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.920699 (E_RNA) where: Base-Base interactions energy: -1292.933 where: short stacking energy: -543.733 Base-Backbone interact. energy: -0.781 local terms energy: -580.206247 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -120.158 flat angles C4'-P-C4' energy: -113.935 flat angles P-C4'-P energy: -83.912 tors. eta vs tors. theta energy: -157.763 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: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1657.798711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.798711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.798711 (E_RNA) where: Base-Base interactions energy: -1109.176 where: short stacking energy: -484.839 Base-Backbone interact. energy: 0.718 local terms energy: -549.340420 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -85.067 flat angles C4'-P-C4' energy: -140.783 flat angles P-C4'-P energy: -71.473 tors. eta vs tors. theta energy: -150.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1569.955666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.955666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.955666 (E_RNA) where: Base-Base interactions energy: -1072.626 where: short stacking energy: -475.710 Base-Backbone interact. energy: 5.213 local terms energy: -502.542190 where: bonds (distance) C4'-P energy: -104.865 bonds (distance) P-C4' energy: -101.226 flat angles C4'-P-C4' energy: -112.363 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -130.949 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: 7, replica: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1488.205447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.205447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.205447 (E_RNA) where: Base-Base interactions energy: -982.726 where: short stacking energy: -435.675 Base-Backbone interact. energy: -2.957 local terms energy: -502.522091 where: bonds (distance) C4'-P energy: -87.158 bonds (distance) P-C4' energy: -120.200 flat angles C4'-P-C4' energy: -97.599 flat angles P-C4'-P energy: -70.354 tors. eta vs tors. theta energy: -127.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -960.221778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.221778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.221778 (E_RNA) where: Base-Base interactions energy: -564.952 where: short stacking energy: -278.735 Base-Backbone interact. energy: -2.358 local terms energy: -392.911611 where: bonds (distance) C4'-P energy: -98.263 bonds (distance) P-C4' energy: -99.993 flat angles C4'-P-C4' energy: -83.749 flat angles P-C4'-P energy: -65.218 tors. eta vs tors. theta energy: -45.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -968.028293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.028293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.028293 (E_RNA) where: Base-Base interactions energy: -582.782 where: short stacking energy: -271.784 Base-Backbone interact. energy: 4.047 local terms energy: -389.293802 where: bonds (distance) C4'-P energy: -88.664 bonds (distance) P-C4' energy: -105.688 flat angles C4'-P-C4' energy: -95.273 flat angles P-C4'-P energy: -64.300 tors. eta vs tors. theta energy: -35.370 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: 383 Temperature: 1.350000 Total energy: -519.823722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.823722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.823722 (E_RNA) where: Base-Base interactions energy: -215.863 where: short stacking energy: -122.642 Base-Backbone interact. energy: 1.915 local terms energy: -305.875412 where: bonds (distance) C4'-P energy: -96.276 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -78.088 flat angles P-C4'-P energy: -44.496 tors. eta vs tors. theta energy: 22.346 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: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2112.386304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.386304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.386304 (E_RNA) where: Base-Base interactions energy: -1484.248 where: short stacking energy: -606.789 Base-Backbone interact. energy: -0.638 local terms energy: -627.500910 where: bonds (distance) C4'-P energy: -108.578 bonds (distance) P-C4' energy: -118.251 flat angles C4'-P-C4' energy: -133.522 flat angles P-C4'-P energy: -91.889 tors. eta vs tors. theta energy: -175.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2023.669633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.669633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.669633 (E_RNA) where: Base-Base interactions energy: -1418.730 where: short stacking energy: -569.040 Base-Backbone interact. energy: -3.735 local terms energy: -601.203880 where: bonds (distance) C4'-P energy: -115.264 bonds (distance) P-C4' energy: -106.245 flat angles C4'-P-C4' energy: -128.161 flat angles P-C4'-P energy: -75.910 tors. eta vs tors. theta energy: -175.624 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: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1958.520725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.520725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.520725 (E_RNA) where: Base-Base interactions energy: -1327.450 where: short stacking energy: -572.483 Base-Backbone interact. energy: -5.108 local terms energy: -625.962862 where: bonds (distance) C4'-P energy: -114.714 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -132.886 flat angles P-C4'-P energy: -93.456 tors. eta vs tors. theta energy: -170.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1826.793088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.793088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.793088 (E_RNA) where: Base-Base interactions energy: -1287.054 where: short stacking energy: -548.786 Base-Backbone interact. energy: -3.137 local terms energy: -536.601801 where: bonds (distance) C4'-P energy: -92.241 bonds (distance) P-C4' energy: -91.192 flat angles C4'-P-C4' energy: -125.855 flat angles P-C4'-P energy: -75.507 tors. eta vs tors. theta energy: -151.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1658.185365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.185365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.185365 (E_RNA) where: Base-Base interactions energy: -1094.871 where: short stacking energy: -493.256 Base-Backbone interact. energy: -1.807 local terms energy: -561.506935 where: bonds (distance) C4'-P energy: -103.212 bonds (distance) P-C4' energy: -110.488 flat angles C4'-P-C4' energy: -130.765 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -140.530 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: 384 Temperature: 1.150000 Total energy: -1490.131143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.131143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.131143 (E_RNA) where: Base-Base interactions energy: -965.473 where: short stacking energy: -441.830 Base-Backbone interact. energy: -3.586 local terms energy: -521.071694 where: bonds (distance) C4'-P energy: -107.452 bonds (distance) P-C4' energy: -106.420 flat angles C4'-P-C4' energy: -119.093 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -121.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1448.972988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.972988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.972988 (E_RNA) where: Base-Base interactions energy: -972.967 where: short stacking energy: -429.433 Base-Backbone interact. energy: 0.095 local terms energy: -476.100237 where: bonds (distance) C4'-P energy: -104.732 bonds (distance) P-C4' energy: -88.645 flat angles C4'-P-C4' energy: -102.658 flat angles P-C4'-P energy: -67.166 tors. eta vs tors. theta energy: -112.899 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: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1003.803706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.803706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.803706 (E_RNA) where: Base-Base interactions energy: -597.770 where: short stacking energy: -301.597 Base-Backbone interact. energy: 5.182 local terms energy: -411.215393 where: bonds (distance) C4'-P energy: -94.206 bonds (distance) P-C4' energy: -102.345 flat angles C4'-P-C4' energy: -91.601 flat angles P-C4'-P energy: -77.005 tors. eta vs tors. theta energy: -46.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -974.088912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.088912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.088912 (E_RNA) where: Base-Base interactions energy: -619.138 where: short stacking energy: -284.428 Base-Backbone interact. energy: -1.497 local terms energy: -353.453641 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -91.118 flat angles C4'-P-C4' energy: -89.422 flat angles P-C4'-P energy: -43.936 tors. eta vs tors. theta energy: -39.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -500.506191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.506191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.506191 (E_RNA) where: Base-Base interactions energy: -218.878 where: short stacking energy: -141.974 Base-Backbone interact. energy: 10.948 local terms energy: -292.575756 where: bonds (distance) C4'-P energy: -93.503 bonds (distance) P-C4' energy: -74.949 flat angles C4'-P-C4' energy: -92.479 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: 16.401 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: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2130.452165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.452165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.452165 (E_RNA) where: Base-Base interactions energy: -1489.315 where: short stacking energy: -623.751 Base-Backbone interact. energy: -4.411 local terms energy: -636.725895 where: bonds (distance) C4'-P energy: -122.966 bonds (distance) P-C4' energy: -106.328 flat angles C4'-P-C4' energy: -134.449 flat angles P-C4'-P energy: -89.333 tors. eta vs tors. theta energy: -183.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2049.517374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.517374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.517374 (E_RNA) where: Base-Base interactions energy: -1430.624 where: short stacking energy: -581.779 Base-Backbone interact. energy: 1.591 local terms energy: -620.484497 where: bonds (distance) C4'-P energy: -107.720 bonds (distance) P-C4' energy: -111.141 flat angles C4'-P-C4' energy: -138.939 flat angles P-C4'-P energy: -86.903 tors. eta vs tors. theta energy: -175.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1972.206369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.206369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.206369 (E_RNA) where: Base-Base interactions energy: -1339.716 where: short stacking energy: -595.612 Base-Backbone interact. energy: -1.994 local terms energy: -630.496028 where: bonds (distance) C4'-P energy: -107.504 bonds (distance) P-C4' energy: -119.465 flat angles C4'-P-C4' energy: -129.595 flat angles P-C4'-P energy: -89.595 tors. eta vs tors. theta energy: -184.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1829.762563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.762563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.762563 (E_RNA) where: Base-Base interactions energy: -1266.030 where: short stacking energy: -529.747 Base-Backbone interact. energy: -3.549 local terms energy: -560.183012 where: bonds (distance) C4'-P energy: -105.219 bonds (distance) P-C4' energy: -95.406 flat angles C4'-P-C4' energy: -129.461 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -158.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1640.744025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.744025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.744025 (E_RNA) where: Base-Base interactions energy: -1100.165 where: short stacking energy: -481.228 Base-Backbone interact. energy: -2.548 local terms energy: -538.030139 where: bonds (distance) C4'-P energy: -97.339 bonds (distance) P-C4' energy: -111.656 flat angles C4'-P-C4' energy: -111.444 flat angles P-C4'-P energy: -81.135 tors. eta vs tors. theta energy: -136.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1561.569133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.569133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.569133 (E_RNA) where: Base-Base interactions energy: -1026.471 where: short stacking energy: -492.802 Base-Backbone interact. energy: -1.608 local terms energy: -533.490986 where: bonds (distance) C4'-P energy: -97.963 bonds (distance) P-C4' energy: -95.350 flat angles C4'-P-C4' energy: -113.187 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -146.674 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: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1421.279266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.279266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.279266 (E_RNA) where: Base-Base interactions energy: -956.655 where: short stacking energy: -417.662 Base-Backbone interact. energy: -1.749 local terms energy: -462.875902 where: bonds (distance) C4'-P energy: -108.640 bonds (distance) P-C4' energy: -96.318 flat angles C4'-P-C4' energy: -103.240 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -94.719 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: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1063.248644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.248644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.248644 (E_RNA) where: Base-Base interactions energy: -665.843 where: short stacking energy: -308.104 Base-Backbone interact. energy: 3.478 local terms energy: -400.883056 where: bonds (distance) C4'-P energy: -100.864 bonds (distance) P-C4' energy: -102.756 flat angles C4'-P-C4' energy: -91.125 flat angles P-C4'-P energy: -54.820 tors. eta vs tors. theta energy: -51.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -907.231634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.231634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.231634 (E_RNA) where: Base-Base interactions energy: -538.010 where: short stacking energy: -245.835 Base-Backbone interact. energy: 0.820 local terms energy: -370.042099 where: bonds (distance) C4'-P energy: -90.380 bonds (distance) P-C4' energy: -96.061 flat angles C4'-P-C4' energy: -98.007 flat angles P-C4'-P energy: -64.796 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: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -528.161307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.161307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.161307 (E_RNA) where: Base-Base interactions energy: -225.941 where: short stacking energy: -153.172 Base-Backbone interact. energy: 5.328 local terms energy: -307.547891 where: bonds (distance) C4'-P energy: -93.618 bonds (distance) P-C4' energy: -105.923 flat angles C4'-P-C4' energy: -70.214 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: 10.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2134.323704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.323704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.323704 (E_RNA) where: Base-Base interactions energy: -1501.043 where: short stacking energy: -610.588 Base-Backbone interact. energy: -2.598 local terms energy: -630.682517 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -112.850 flat angles C4'-P-C4' energy: -130.596 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -187.159 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: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2068.525536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.525536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.525536 (E_RNA) where: Base-Base interactions energy: -1430.449 where: short stacking energy: -587.411 Base-Backbone interact. energy: -2.480 local terms energy: -635.596157 where: bonds (distance) C4'-P energy: -109.583 bonds (distance) P-C4' energy: -124.801 flat angles C4'-P-C4' energy: -140.666 flat angles P-C4'-P energy: -81.739 tors. eta vs tors. theta energy: -178.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1952.103521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.103521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.103521 (E_RNA) where: Base-Base interactions energy: -1318.084 where: short stacking energy: -593.330 Base-Backbone interact. energy: -2.495 local terms energy: -631.523799 where: bonds (distance) C4'-P energy: -117.163 bonds (distance) P-C4' energy: -111.481 flat angles C4'-P-C4' energy: -131.788 flat angles P-C4'-P energy: -89.684 tors. eta vs tors. theta energy: -181.407 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: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1807.445785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.445785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.445785 (E_RNA) where: Base-Base interactions energy: -1246.365 where: short stacking energy: -506.414 Base-Backbone interact. energy: -0.067 local terms energy: -561.014170 where: bonds (distance) C4'-P energy: -102.371 bonds (distance) P-C4' energy: -126.835 flat angles C4'-P-C4' energy: -113.952 flat angles P-C4'-P energy: -73.341 tors. eta vs tors. theta energy: -144.515 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: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1683.764489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.764489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.764489 (E_RNA) where: Base-Base interactions energy: -1128.541 where: short stacking energy: -487.038 Base-Backbone interact. energy: -0.616 local terms energy: -554.606985 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -106.769 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -90.788 tors. eta vs tors. theta energy: -140.259 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: 6, replica: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1516.875752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.875752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.875752 (E_RNA) where: Base-Base interactions energy: -993.752 where: short stacking energy: -436.369 Base-Backbone interact. energy: -0.693 local terms energy: -522.430084 where: bonds (distance) C4'-P energy: -104.630 bonds (distance) P-C4' energy: -96.973 flat angles C4'-P-C4' energy: -123.373 flat angles P-C4'-P energy: -76.520 tors. eta vs tors. theta energy: -120.934 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: 386 Temperature: 1.200000 Total energy: -1441.327454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.327454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.327454 (E_RNA) where: Base-Base interactions energy: -918.053 where: short stacking energy: -400.965 Base-Backbone interact. energy: -2.497 local terms energy: -520.777766 where: bonds (distance) C4'-P energy: -98.469 bonds (distance) P-C4' energy: -111.060 flat angles C4'-P-C4' energy: -122.811 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -113.487 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: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1080.988214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.988214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.988214 (E_RNA) where: Base-Base interactions energy: -655.376 where: short stacking energy: -291.748 Base-Backbone interact. energy: -0.224 local terms energy: -425.388170 where: bonds (distance) C4'-P energy: -95.644 bonds (distance) P-C4' energy: -110.420 flat angles C4'-P-C4' energy: -94.131 flat angles P-C4'-P energy: -68.778 tors. eta vs tors. theta energy: -56.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -928.002464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.002464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.002464 (E_RNA) where: Base-Base interactions energy: -546.029 where: short stacking energy: -264.648 Base-Backbone interact. energy: -1.478 local terms energy: -380.495626 where: bonds (distance) C4'-P energy: -80.034 bonds (distance) P-C4' energy: -95.558 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -53.839 tors. eta vs tors. theta energy: -60.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -564.211886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.211886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.211886 (E_RNA) where: Base-Base interactions energy: -248.241 where: short stacking energy: -164.517 Base-Backbone interact. energy: 5.582 local terms energy: -321.552478 where: bonds (distance) C4'-P energy: -94.919 bonds (distance) P-C4' energy: -88.862 flat angles C4'-P-C4' energy: -98.191 flat angles P-C4'-P energy: -44.430 tors. eta vs tors. theta energy: 4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2182.227841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.227841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.227841 (E_RNA) where: Base-Base interactions energy: -1548.659 where: short stacking energy: -626.578 Base-Backbone interact. energy: -2.449 local terms energy: -631.120716 where: bonds (distance) C4'-P energy: -109.764 bonds (distance) P-C4' energy: -120.700 flat angles C4'-P-C4' energy: -134.259 flat angles P-C4'-P energy: -85.080 tors. eta vs tors. theta energy: -181.318 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: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2035.221093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.221093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.221093 (E_RNA) where: Base-Base interactions energy: -1419.818 where: short stacking energy: -588.106 Base-Backbone interact. energy: 0.946 local terms energy: -616.349079 where: bonds (distance) C4'-P energy: -117.178 bonds (distance) P-C4' energy: -110.972 flat angles C4'-P-C4' energy: -131.004 flat angles P-C4'-P energy: -89.160 tors. eta vs tors. theta energy: -168.036 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: 387 Temperature: 1.000000 Total energy: -1937.692318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.692318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.692318 (E_RNA) where: Base-Base interactions energy: -1343.058 where: short stacking energy: -566.093 Base-Backbone interact. energy: -1.740 local terms energy: -592.894486 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -106.051 flat angles C4'-P-C4' energy: -126.586 flat angles P-C4'-P energy: -82.480 tors. eta vs tors. theta energy: -166.846 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: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1838.605269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.605269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.605269 (E_RNA) where: Base-Base interactions energy: -1244.502 where: short stacking energy: -524.754 Base-Backbone interact. energy: 1.294 local terms energy: -595.397804 where: bonds (distance) C4'-P energy: -115.110 bonds (distance) P-C4' energy: -111.173 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -89.626 tors. eta vs tors. theta energy: -142.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1694.356858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.356858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.356858 (E_RNA) where: Base-Base interactions energy: -1145.110 where: short stacking energy: -493.332 Base-Backbone interact. energy: -2.546 local terms energy: -546.700991 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -118.362 flat angles C4'-P-C4' energy: -99.698 flat angles P-C4'-P energy: -84.103 tors. eta vs tors. theta energy: -144.105 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: -1555.955533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.955533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.955533 (E_RNA) where: Base-Base interactions energy: -1040.040 where: short stacking energy: -447.008 Base-Backbone interact. energy: -3.455 local terms energy: -512.460774 where: bonds (distance) C4'-P energy: -94.773 bonds (distance) P-C4' energy: -108.212 flat angles C4'-P-C4' energy: -103.588 flat angles P-C4'-P energy: -78.857 tors. eta vs tors. theta energy: -127.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1360.380801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.380801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.380801 (E_RNA) where: Base-Base interactions energy: -883.313 where: short stacking energy: -367.981 Base-Backbone interact. energy: -3.335 local terms energy: -473.733034 where: bonds (distance) C4'-P energy: -91.711 bonds (distance) P-C4' energy: -93.309 flat angles C4'-P-C4' energy: -110.550 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -95.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1105.837234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.837234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.837234 (E_RNA) where: Base-Base interactions energy: -679.283 where: short stacking energy: -314.278 Base-Backbone interact. energy: -0.951 local terms energy: -425.602409 where: bonds (distance) C4'-P energy: -105.147 bonds (distance) P-C4' energy: -91.769 flat angles C4'-P-C4' energy: -90.991 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -63.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -891.978261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.978261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.978261 (E_RNA) where: Base-Base interactions energy: -544.973 where: short stacking energy: -248.045 Base-Backbone interact. energy: 0.790 local terms energy: -347.795172 where: bonds (distance) C4'-P energy: -97.908 bonds (distance) P-C4' energy: -95.754 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -45.983 tors. eta vs tors. theta energy: -36.305 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: 387 Temperature: 1.350000 Total energy: -532.811537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.811537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.811537 (E_RNA) where: Base-Base interactions energy: -216.349 where: short stacking energy: -169.252 Base-Backbone interact. energy: -0.156 local terms energy: -316.306877 where: bonds (distance) C4'-P energy: -96.891 bonds (distance) P-C4' energy: -106.893 flat angles C4'-P-C4' energy: -88.505 flat angles P-C4'-P energy: -40.268 tors. eta vs tors. theta energy: 16.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2139.120541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.120541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.120541 (E_RNA) where: Base-Base interactions energy: -1488.954 where: short stacking energy: -605.126 Base-Backbone interact. energy: -2.670 local terms energy: -647.495951 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -126.985 flat angles C4'-P-C4' energy: -140.101 flat angles P-C4'-P energy: -87.893 tors. eta vs tors. theta energy: -177.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2010.186201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.186201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.186201 (E_RNA) where: Base-Base interactions energy: -1394.286 where: short stacking energy: -580.997 Base-Backbone interact. energy: -3.077 local terms energy: -612.822958 where: bonds (distance) C4'-P energy: -125.854 bonds (distance) P-C4' energy: -115.587 flat angles C4'-P-C4' energy: -119.592 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -165.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1929.877031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.877031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.877031 (E_RNA) where: Base-Base interactions energy: -1328.686 where: short stacking energy: -587.208 Base-Backbone interact. energy: -1.125 local terms energy: -600.065985 where: bonds (distance) C4'-P energy: -111.609 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -116.918 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -170.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1838.081068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.081068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.081068 (E_RNA) where: Base-Base interactions energy: -1280.009 where: short stacking energy: -530.686 Base-Backbone interact. energy: 1.245 local terms energy: -559.317010 where: bonds (distance) C4'-P energy: -103.102 bonds (distance) P-C4' energy: -109.596 flat angles C4'-P-C4' energy: -116.808 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: -150.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1721.959622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.959622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.959622 (E_RNA) where: Base-Base interactions energy: -1155.570 where: short stacking energy: -480.353 Base-Backbone interact. energy: -2.038 local terms energy: -564.351953 where: bonds (distance) C4'-P energy: -123.868 bonds (distance) P-C4' energy: -99.409 flat angles C4'-P-C4' energy: -116.802 flat angles P-C4'-P energy: -79.355 tors. eta vs tors. theta energy: -144.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1560.122285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.122285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.122285 (E_RNA) where: Base-Base interactions energy: -1049.582 where: short stacking energy: -463.684 Base-Backbone interact. energy: -2.334 local terms energy: -508.206407 where: bonds (distance) C4'-P energy: -93.353 bonds (distance) P-C4' energy: -98.959 flat angles C4'-P-C4' energy: -114.588 flat angles P-C4'-P energy: -70.342 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: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1441.630772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.630772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.630772 (E_RNA) where: Base-Base interactions energy: -960.328 where: short stacking energy: -417.673 Base-Backbone interact. energy: 2.732 local terms energy: -484.034435 where: bonds (distance) C4'-P energy: -85.970 bonds (distance) P-C4' energy: -123.685 flat angles C4'-P-C4' energy: -102.869 flat angles P-C4'-P energy: -63.592 tors. eta vs tors. theta energy: -107.917 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: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1091.368548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.368548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.368548 (E_RNA) where: Base-Base interactions energy: -677.082 where: short stacking energy: -329.635 Base-Backbone interact. energy: -1.309 local terms energy: -412.977388 where: bonds (distance) C4'-P energy: -102.945 bonds (distance) P-C4' energy: -95.896 flat angles C4'-P-C4' energy: -96.719 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -69.546 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: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -886.646958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.646958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.646958 (E_RNA) where: Base-Base interactions energy: -536.057 where: short stacking energy: -291.890 Base-Backbone interact. energy: 2.255 local terms energy: -352.844288 where: bonds (distance) C4'-P energy: -91.206 bonds (distance) P-C4' energy: -101.145 flat angles C4'-P-C4' energy: -88.739 flat angles P-C4'-P energy: -36.043 tors. eta vs tors. theta energy: -35.710 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: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -474.996944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.996944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.996944 (E_RNA) where: Base-Base interactions energy: -171.952 where: short stacking energy: -130.787 Base-Backbone interact. energy: 3.313 local terms energy: -306.358093 where: bonds (distance) C4'-P energy: -96.898 bonds (distance) P-C4' energy: -107.179 flat angles C4'-P-C4' energy: -74.204 flat angles P-C4'-P energy: -45.166 tors. eta vs tors. theta energy: 17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2143.847846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.847846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.847846 (E_RNA) where: Base-Base interactions energy: -1499.454 where: short stacking energy: -623.687 Base-Backbone interact. energy: 0.020 local terms energy: -644.413517 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -105.559 flat angles C4'-P-C4' energy: -142.921 flat angles P-C4'-P energy: -101.776 tors. eta vs tors. theta energy: -167.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2008.212041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.212041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.212041 (E_RNA) where: Base-Base interactions energy: -1401.649 where: short stacking energy: -593.061 Base-Backbone interact. energy: -1.968 local terms energy: -604.594743 where: bonds (distance) C4'-P energy: -116.807 bonds (distance) P-C4' energy: -99.893 flat angles C4'-P-C4' energy: -129.684 flat angles P-C4'-P energy: -79.632 tors. eta vs tors. theta energy: -178.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1908.038214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.038214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.038214 (E_RNA) where: Base-Base interactions energy: -1321.268 where: short stacking energy: -573.877 Base-Backbone interact. energy: -2.518 local terms energy: -584.252231 where: bonds (distance) C4'-P energy: -115.662 bonds (distance) P-C4' energy: -97.126 flat angles C4'-P-C4' energy: -129.405 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: -167.936 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: 4, replica: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1825.802600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.802600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.802600 (E_RNA) where: Base-Base interactions energy: -1253.802 where: short stacking energy: -541.184 Base-Backbone interact. energy: -4.067 local terms energy: -567.932912 where: bonds (distance) C4'-P energy: -105.546 bonds (distance) P-C4' energy: -92.387 flat angles C4'-P-C4' energy: -125.335 flat angles P-C4'-P energy: -87.677 tors. eta vs tors. theta energy: -156.987 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: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1743.944091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.944091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.944091 (E_RNA) where: Base-Base interactions energy: -1234.765 where: short stacking energy: -532.796 Base-Backbone interact. energy: -3.719 local terms energy: -505.459880 where: bonds (distance) C4'-P energy: -95.514 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -118.639 flat angles P-C4'-P energy: -83.326 tors. eta vs tors. theta energy: -139.891 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: 389 Temperature: 1.150000 Total energy: -1549.031324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.031324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.031324 (E_RNA) where: Base-Base interactions energy: -1030.390 where: short stacking energy: -441.083 Base-Backbone interact. energy: 0.085 local terms energy: -518.726531 where: bonds (distance) C4'-P energy: -77.215 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -119.926 flat angles P-C4'-P energy: -88.403 tors. eta vs tors. theta energy: -131.480 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: 389 Temperature: 1.200000 Total energy: -1404.548253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.548253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.548253 (E_RNA) where: Base-Base interactions energy: -938.953 where: short stacking energy: -395.747 Base-Backbone interact. energy: 1.034 local terms energy: -466.628936 where: bonds (distance) C4'-P energy: -79.357 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -102.607 flat angles P-C4'-P energy: -77.861 tors. eta vs tors. theta energy: -93.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1094.119170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.119170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.119170 (E_RNA) where: Base-Base interactions energy: -669.118 where: short stacking energy: -303.085 Base-Backbone interact. energy: -1.025 local terms energy: -423.975981 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -93.395 flat angles C4'-P-C4' energy: -95.519 flat angles P-C4'-P energy: -77.853 tors. eta vs tors. theta energy: -64.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -913.264038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.264038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.264038 (E_RNA) where: Base-Base interactions energy: -526.599 where: short stacking energy: -241.217 Base-Backbone interact. energy: 2.170 local terms energy: -388.834504 where: bonds (distance) C4'-P energy: -102.897 bonds (distance) P-C4' energy: -106.599 flat angles C4'-P-C4' energy: -92.319 flat angles P-C4'-P energy: -57.303 tors. eta vs tors. theta energy: -29.716 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: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -477.043473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.043473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.043473 (E_RNA) where: Base-Base interactions energy: -196.594 where: short stacking energy: -143.308 Base-Backbone interact. energy: 1.397 local terms energy: -281.847031 where: bonds (distance) C4'-P energy: -93.904 bonds (distance) P-C4' energy: -97.861 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: 28.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2133.624775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.624775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.624775 (E_RNA) where: Base-Base interactions energy: -1481.769 where: short stacking energy: -606.482 Base-Backbone interact. energy: -1.616 local terms energy: -650.239253 where: bonds (distance) C4'-P energy: -109.921 bonds (distance) P-C4' energy: -120.947 flat angles C4'-P-C4' energy: -141.276 flat angles P-C4'-P energy: -102.545 tors. eta vs tors. theta energy: -175.551 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: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1998.929084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.929084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.929084 (E_RNA) where: Base-Base interactions energy: -1375.241 where: short stacking energy: -589.970 Base-Backbone interact. energy: 1.470 local terms energy: -625.158090 where: bonds (distance) C4'-P energy: -113.679 bonds (distance) P-C4' energy: -116.795 flat angles C4'-P-C4' energy: -128.202 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: -174.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1905.007505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.007505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.007505 (E_RNA) where: Base-Base interactions energy: -1293.911 where: short stacking energy: -562.068 Base-Backbone interact. energy: -3.251 local terms energy: -607.845015 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -119.097 flat angles C4'-P-C4' energy: -130.126 flat angles P-C4'-P energy: -76.613 tors. eta vs tors. theta energy: -165.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1814.962577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.962577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.962577 (E_RNA) where: Base-Base interactions energy: -1251.170 where: short stacking energy: -528.645 Base-Backbone interact. energy: -4.782 local terms energy: -559.010938 where: bonds (distance) C4'-P energy: -95.964 bonds (distance) P-C4' energy: -104.146 flat angles C4'-P-C4' energy: -128.901 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -147.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1754.100159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.100159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.100159 (E_RNA) where: Base-Base interactions energy: -1211.150 where: short stacking energy: -500.017 Base-Backbone interact. energy: -1.773 local terms energy: -541.177015 where: bonds (distance) C4'-P energy: -105.596 bonds (distance) P-C4' energy: -108.002 flat angles C4'-P-C4' energy: -116.414 flat angles P-C4'-P energy: -72.165 tors. eta vs tors. theta energy: -139.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1509.323700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.323700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.323700 (E_RNA) where: Base-Base interactions energy: -992.512 where: short stacking energy: -456.121 Base-Backbone interact. energy: 0.011 local terms energy: -516.822451 where: bonds (distance) C4'-P energy: -98.543 bonds (distance) P-C4' energy: -109.172 flat angles C4'-P-C4' energy: -112.402 flat angles P-C4'-P energy: -68.623 tors. eta vs tors. theta energy: -128.081 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: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1399.161533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.161533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.161533 (E_RNA) where: Base-Base interactions energy: -935.838 where: short stacking energy: -404.793 Base-Backbone interact. energy: -0.545 local terms energy: -462.778972 where: bonds (distance) C4'-P energy: -95.740 bonds (distance) P-C4' energy: -105.711 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -61.995 tors. eta vs tors. theta energy: -95.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1026.836326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.836326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.836326 (E_RNA) where: Base-Base interactions energy: -654.847 where: short stacking energy: -298.128 Base-Backbone interact. energy: -2.842 local terms energy: -369.147682 where: bonds (distance) C4'-P energy: -109.307 bonds (distance) P-C4' energy: -69.104 flat angles C4'-P-C4' energy: -107.925 flat angles P-C4'-P energy: -32.176 tors. eta vs tors. theta energy: -50.637 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: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1032.098919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.098919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.098919 (E_RNA) where: Base-Base interactions energy: -639.015 where: short stacking energy: -316.420 Base-Backbone interact. energy: -3.067 local terms energy: -390.016754 where: bonds (distance) C4'-P energy: -97.083 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -75.585 flat angles P-C4'-P energy: -55.526 tors. eta vs tors. theta energy: -68.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -453.672697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.672697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.672697 (E_RNA) where: Base-Base interactions energy: -159.237 where: short stacking energy: -94.737 Base-Backbone interact. energy: 6.800 local terms energy: -301.236152 where: bonds (distance) C4'-P energy: -100.875 bonds (distance) P-C4' energy: -101.059 flat angles C4'-P-C4' energy: -80.825 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: 32.330 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2141.766954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.766954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.766954 (E_RNA) where: Base-Base interactions energy: -1513.389 where: short stacking energy: -625.920 Base-Backbone interact. energy: -3.324 local terms energy: -625.054829 where: bonds (distance) C4'-P energy: -118.462 bonds (distance) P-C4' energy: -117.452 flat angles C4'-P-C4' energy: -127.966 flat angles P-C4'-P energy: -82.317 tors. eta vs tors. theta energy: -178.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2045.896251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.896251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.896251 (E_RNA) where: Base-Base interactions energy: -1402.477 where: short stacking energy: -596.883 Base-Backbone interact. energy: -4.839 local terms energy: -638.580190 where: bonds (distance) C4'-P energy: -126.291 bonds (distance) P-C4' energy: -126.560 flat angles C4'-P-C4' energy: -129.967 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -175.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1910.701551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.701551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.701551 (E_RNA) where: Base-Base interactions energy: -1323.816 where: short stacking energy: -571.955 Base-Backbone interact. energy: -3.576 local terms energy: -583.309011 where: bonds (distance) C4'-P energy: -98.322 bonds (distance) P-C4' energy: -120.571 flat angles C4'-P-C4' energy: -127.468 flat angles P-C4'-P energy: -75.320 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: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1821.472972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.472972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.472972 (E_RNA) where: Base-Base interactions energy: -1255.225 where: short stacking energy: -520.082 Base-Backbone interact. energy: -2.312 local terms energy: -563.936258 where: bonds (distance) C4'-P energy: -114.406 bonds (distance) P-C4' energy: -105.479 flat angles C4'-P-C4' energy: -113.628 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: -152.667 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: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1783.405599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.405599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.405599 (E_RNA) where: Base-Base interactions energy: -1248.002 where: short stacking energy: -517.580 Base-Backbone interact. energy: -1.703 local terms energy: -533.700174 where: bonds (distance) C4'-P energy: -95.775 bonds (distance) P-C4' energy: -111.274 flat angles C4'-P-C4' energy: -101.809 flat angles P-C4'-P energy: -81.860 tors. eta vs tors. theta energy: -142.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1495.061132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.061132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.061132 (E_RNA) where: Base-Base interactions energy: -974.347 where: short stacking energy: -423.827 Base-Backbone interact. energy: -3.159 local terms energy: -517.554566 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -109.147 flat angles C4'-P-C4' energy: -121.080 flat angles P-C4'-P energy: -77.427 tors. eta vs tors. theta energy: -113.020 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: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1373.003477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.003477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.003477 (E_RNA) where: Base-Base interactions energy: -906.376 where: short stacking energy: -390.775 Base-Backbone interact. energy: -4.294 local terms energy: -462.334048 where: bonds (distance) C4'-P energy: -98.784 bonds (distance) P-C4' energy: -94.547 flat angles C4'-P-C4' energy: -102.682 flat angles P-C4'-P energy: -76.290 tors. eta vs tors. theta energy: -90.031 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1020.487118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.487118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.487118 (E_RNA) where: Base-Base interactions energy: -643.799 where: short stacking energy: -306.641 Base-Backbone interact. energy: 1.699 local terms energy: -378.386430 where: bonds (distance) C4'-P energy: -86.238 bonds (distance) P-C4' energy: -105.322 flat angles C4'-P-C4' energy: -93.283 flat angles P-C4'-P energy: -50.674 tors. eta vs tors. theta energy: -42.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1027.327404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.327404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.327404 (E_RNA) where: Base-Base interactions energy: -638.702 where: short stacking energy: -297.889 Base-Backbone interact. energy: -1.561 local terms energy: -387.064668 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -87.326 flat angles C4'-P-C4' energy: -71.862 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -66.588 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: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -532.246396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.246396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.246396 (E_RNA) where: Base-Base interactions energy: -252.951 where: short stacking energy: -140.769 Base-Backbone interact. energy: 1.701 local terms energy: -280.996573 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -89.444 flat angles C4'-P-C4' energy: -60.079 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: 5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2150.404414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.404414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.404414 (E_RNA) where: Base-Base interactions energy: -1513.952 where: short stacking energy: -634.645 Base-Backbone interact. energy: -0.074 local terms energy: -636.378365 where: bonds (distance) C4'-P energy: -111.728 bonds (distance) P-C4' energy: -112.531 flat angles C4'-P-C4' energy: -143.729 flat angles P-C4'-P energy: -81.431 tors. eta vs tors. theta energy: -186.960 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: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1988.400978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.400978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.400978 (E_RNA) where: Base-Base interactions energy: -1400.297 where: short stacking energy: -568.677 Base-Backbone interact. energy: -5.501 local terms energy: -582.603113 where: bonds (distance) C4'-P energy: -111.388 bonds (distance) P-C4' energy: -96.889 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -171.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1902.872584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.872584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.872584 (E_RNA) where: Base-Base interactions energy: -1324.809 where: short stacking energy: -542.127 Base-Backbone interact. energy: 4.147 local terms energy: -582.210335 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -109.833 flat angles C4'-P-C4' energy: -131.263 flat angles P-C4'-P energy: -82.663 tors. eta vs tors. theta energy: -159.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1826.221468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.221468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.221468 (E_RNA) where: Base-Base interactions energy: -1257.992 where: short stacking energy: -501.562 Base-Backbone interact. energy: -2.885 local terms energy: -565.345056 where: bonds (distance) C4'-P energy: -109.448 bonds (distance) P-C4' energy: -118.045 flat angles C4'-P-C4' energy: -116.023 flat angles P-C4'-P energy: -79.816 tors. eta vs tors. theta energy: -142.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1800.155821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.155821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.155821 (E_RNA) where: Base-Base interactions energy: -1230.250 where: short stacking energy: -522.552 Base-Backbone interact. energy: -2.426 local terms energy: -567.479536 where: bonds (distance) C4'-P energy: -106.085 bonds (distance) P-C4' energy: -104.957 flat angles C4'-P-C4' energy: -129.404 flat angles P-C4'-P energy: -78.566 tors. eta vs tors. theta energy: -148.467 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: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1525.283921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.283921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.283921 (E_RNA) where: Base-Base interactions energy: -1009.860 where: short stacking energy: -464.663 Base-Backbone interact. energy: -0.630 local terms energy: -514.793697 where: bonds (distance) C4'-P energy: -90.284 bonds (distance) P-C4' energy: -114.392 flat angles C4'-P-C4' energy: -121.553 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -124.019 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: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1377.577926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.577926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.577926 (E_RNA) where: Base-Base interactions energy: -927.195 where: short stacking energy: -381.177 Base-Backbone interact. energy: 6.364 local terms energy: -456.747204 where: bonds (distance) C4'-P energy: -99.708 bonds (distance) P-C4' energy: -109.824 flat angles C4'-P-C4' energy: -94.080 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -88.229 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: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1022.292176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.292176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.292176 (E_RNA) where: Base-Base interactions energy: -605.623 where: short stacking energy: -298.234 Base-Backbone interact. energy: 2.807 local terms energy: -419.476447 where: bonds (distance) C4'-P energy: -96.809 bonds (distance) P-C4' energy: -107.340 flat angles C4'-P-C4' energy: -90.295 flat angles P-C4'-P energy: -71.807 tors. eta vs tors. theta energy: -53.226 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: 9, replica: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1090.106773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.106773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.106773 (E_RNA) where: Base-Base interactions energy: -691.549 where: short stacking energy: -315.961 Base-Backbone interact. energy: 1.587 local terms energy: -400.145397 where: bonds (distance) C4'-P energy: -79.577 bonds (distance) P-C4' energy: -104.586 flat angles C4'-P-C4' energy: -99.390 flat angles P-C4'-P energy: -60.850 tors. eta vs tors. theta energy: -55.742 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -553.125391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.125391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.125391 (E_RNA) where: Base-Base interactions energy: -221.903 where: short stacking energy: -148.593 Base-Backbone interact. energy: 1.753 local terms energy: -332.974980 where: bonds (distance) C4'-P energy: -95.213 bonds (distance) P-C4' energy: -94.952 flat angles C4'-P-C4' energy: -88.294 flat angles P-C4'-P energy: -57.821 tors. eta vs tors. theta energy: 3.305 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: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2128.371232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.371232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.371232 (E_RNA) where: Base-Base interactions energy: -1507.440 where: short stacking energy: -619.433 Base-Backbone interact. energy: -3.119 local terms energy: -617.811876 where: bonds (distance) C4'-P energy: -111.710 bonds (distance) P-C4' energy: -114.997 flat angles C4'-P-C4' energy: -127.752 flat angles P-C4'-P energy: -88.442 tors. eta vs tors. theta energy: -174.912 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: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1996.071290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.071290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.071290 (E_RNA) where: Base-Base interactions energy: -1369.137 where: short stacking energy: -535.116 Base-Backbone interact. energy: -2.888 local terms energy: -624.045560 where: bonds (distance) C4'-P energy: -125.288 bonds (distance) P-C4' energy: -119.608 flat angles C4'-P-C4' energy: -137.314 flat angles P-C4'-P energy: -87.453 tors. eta vs tors. theta energy: -154.383 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: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1907.169425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.169425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.169425 (E_RNA) where: Base-Base interactions energy: -1330.277 where: short stacking energy: -529.255 Base-Backbone interact. energy: -0.834 local terms energy: -576.058457 where: bonds (distance) C4'-P energy: -112.275 bonds (distance) P-C4' energy: -125.006 flat angles C4'-P-C4' energy: -118.949 flat angles P-C4'-P energy: -70.857 tors. eta vs tors. theta energy: -148.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1821.902784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.902784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.902784 (E_RNA) where: Base-Base interactions energy: -1239.669 where: short stacking energy: -531.625 Base-Backbone interact. energy: -5.923 local terms energy: -576.311112 where: bonds (distance) C4'-P energy: -106.995 bonds (distance) P-C4' energy: -124.667 flat angles C4'-P-C4' energy: -117.968 flat angles P-C4'-P energy: -76.151 tors. eta vs tors. theta energy: -150.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1749.375809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.375809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.375809 (E_RNA) where: Base-Base interactions energy: -1205.418 where: short stacking energy: -521.862 Base-Backbone interact. energy: -0.603 local terms energy: -543.354984 where: bonds (distance) C4'-P energy: -91.010 bonds (distance) P-C4' energy: -106.307 flat angles C4'-P-C4' energy: -125.051 flat angles P-C4'-P energy: -72.678 tors. eta vs tors. theta energy: -148.309 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: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1512.624303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.624303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.624303 (E_RNA) where: Base-Base interactions energy: -1009.882 where: short stacking energy: -444.542 Base-Backbone interact. energy: -1.220 local terms energy: -501.522481 where: bonds (distance) C4'-P energy: -98.503 bonds (distance) P-C4' energy: -97.265 flat angles C4'-P-C4' energy: -108.725 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -120.431 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: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1391.876614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.876614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.876614 (E_RNA) where: Base-Base interactions energy: -951.249 where: short stacking energy: -417.843 Base-Backbone interact. energy: -2.956 local terms energy: -437.671669 where: bonds (distance) C4'-P energy: -90.541 bonds (distance) P-C4' energy: -109.647 flat angles C4'-P-C4' energy: -97.180 flat angles P-C4'-P energy: -39.504 tors. eta vs tors. theta energy: -100.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1107.114899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.114899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.114899 (E_RNA) where: Base-Base interactions energy: -702.867 where: short stacking energy: -287.955 Base-Backbone interact. energy: 4.527 local terms energy: -408.774720 where: bonds (distance) C4'-P energy: -100.269 bonds (distance) P-C4' energy: -100.071 flat angles C4'-P-C4' energy: -102.786 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -53.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -970.751350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.751350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.751350 (E_RNA) where: Base-Base interactions energy: -579.805 where: short stacking energy: -265.313 Base-Backbone interact. energy: 1.369 local terms energy: -392.315756 where: bonds (distance) C4'-P energy: -102.733 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -85.751 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -49.636 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: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -555.437644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.437644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.437644 (E_RNA) where: Base-Base interactions energy: -261.915 where: short stacking energy: -164.167 Base-Backbone interact. energy: 2.768 local terms energy: -296.290872 where: bonds (distance) C4'-P energy: -103.279 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -54.979 flat angles P-C4'-P energy: -60.639 tors. eta vs tors. theta energy: 5.865 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: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2157.993944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.993944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.993944 (E_RNA) where: Base-Base interactions energy: -1512.654 where: short stacking energy: -602.750 Base-Backbone interact. energy: -2.622 local terms energy: -642.718241 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -121.037 flat angles C4'-P-C4' energy: -132.731 flat angles P-C4'-P energy: -89.940 tors. eta vs tors. theta energy: -180.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1990.025675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.025675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.025675 (E_RNA) where: Base-Base interactions energy: -1347.670 where: short stacking energy: -586.186 Base-Backbone interact. energy: 1.421 local terms energy: -643.776556 where: bonds (distance) C4'-P energy: -115.329 bonds (distance) P-C4' energy: -131.114 flat angles C4'-P-C4' energy: -138.177 flat angles P-C4'-P energy: -91.892 tors. eta vs tors. theta energy: -167.266 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: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1909.823972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.823972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.823972 (E_RNA) where: Base-Base interactions energy: -1318.487 where: short stacking energy: -543.993 Base-Backbone interact. energy: -0.209 local terms energy: -591.127318 where: bonds (distance) C4'-P energy: -106.728 bonds (distance) P-C4' energy: -126.324 flat angles C4'-P-C4' energy: -118.747 flat angles P-C4'-P energy: -88.201 tors. eta vs tors. theta energy: -151.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1823.890555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.890555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.890555 (E_RNA) where: Base-Base interactions energy: -1239.343 where: short stacking energy: -547.787 Base-Backbone interact. energy: 0.781 local terms energy: -585.328934 where: bonds (distance) C4'-P energy: -108.002 bonds (distance) P-C4' energy: -105.510 flat angles C4'-P-C4' energy: -129.381 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -166.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1752.547843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.547843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.547843 (E_RNA) where: Base-Base interactions energy: -1190.233 where: short stacking energy: -498.207 Base-Backbone interact. energy: -4.297 local terms energy: -558.018059 where: bonds (distance) C4'-P energy: -104.385 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -118.871 flat angles P-C4'-P energy: -91.726 tors. eta vs tors. theta energy: -134.073 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1489.913159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.913159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.913159 (E_RNA) where: Base-Base interactions energy: -955.456 where: short stacking energy: -416.503 Base-Backbone interact. energy: -0.623 local terms energy: -533.833293 where: bonds (distance) C4'-P energy: -92.575 bonds (distance) P-C4' energy: -114.541 flat angles C4'-P-C4' energy: -118.082 flat angles P-C4'-P energy: -84.776 tors. eta vs tors. theta energy: -123.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1401.254446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.254446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.254446 (E_RNA) where: Base-Base interactions energy: -943.117 where: short stacking energy: -392.043 Base-Backbone interact. energy: 0.500 local terms energy: -458.637035 where: bonds (distance) C4'-P energy: -103.359 bonds (distance) P-C4' energy: -85.730 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -62.427 tors. eta vs tors. theta energy: -98.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1161.496582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.496582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.496582 (E_RNA) where: Base-Base interactions energy: -716.993 where: short stacking energy: -322.803 Base-Backbone interact. energy: 3.029 local terms energy: -447.532622 where: bonds (distance) C4'-P energy: -102.002 bonds (distance) P-C4' energy: -100.011 flat angles C4'-P-C4' energy: -121.547 flat angles P-C4'-P energy: -54.333 tors. eta vs tors. theta energy: -69.640 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: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -921.360184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.360184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.360184 (E_RNA) where: Base-Base interactions energy: -551.425 where: short stacking energy: -248.168 Base-Backbone interact. energy: -1.346 local terms energy: -368.589286 where: bonds (distance) C4'-P energy: -105.467 bonds (distance) P-C4' energy: -86.775 flat angles C4'-P-C4' energy: -104.053 flat angles P-C4'-P energy: -45.322 tors. eta vs tors. theta energy: -26.972 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: 394 Temperature: 1.350000 Total energy: -566.566688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.566688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.566688 (E_RNA) where: Base-Base interactions energy: -253.233 where: short stacking energy: -145.301 Base-Backbone interact. energy: 5.729 local terms energy: -319.062922 where: bonds (distance) C4'-P energy: -87.220 bonds (distance) P-C4' energy: -106.701 flat angles C4'-P-C4' energy: -85.803 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: 14.605 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: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2146.361164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.361164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.361164 (E_RNA) where: Base-Base interactions energy: -1486.993 where: short stacking energy: -619.060 Base-Backbone interact. energy: -4.761 local terms energy: -654.607339 where: bonds (distance) C4'-P energy: -124.711 bonds (distance) P-C4' energy: -126.181 flat angles C4'-P-C4' energy: -129.390 flat angles P-C4'-P energy: -94.448 tors. eta vs tors. theta energy: -179.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2027.178238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.178238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.178238 (E_RNA) where: Base-Base interactions energy: -1395.124 where: short stacking energy: -572.978 Base-Backbone interact. energy: -0.125 local terms energy: -631.929599 where: bonds (distance) C4'-P energy: -115.422 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -93.336 tors. eta vs tors. theta energy: -169.261 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: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1894.880367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.880367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.880367 (E_RNA) where: Base-Base interactions energy: -1297.914 where: short stacking energy: -530.824 Base-Backbone interact. energy: -2.889 local terms energy: -594.077928 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -115.662 flat angles C4'-P-C4' energy: -133.345 flat angles P-C4'-P energy: -91.675 tors. eta vs tors. theta energy: -142.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1856.977264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.977264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.977264 (E_RNA) where: Base-Base interactions energy: -1269.030 where: short stacking energy: -537.169 Base-Backbone interact. energy: -1.768 local terms energy: -586.179513 where: bonds (distance) C4'-P energy: -107.047 bonds (distance) P-C4' energy: -110.833 flat angles C4'-P-C4' energy: -124.491 flat angles P-C4'-P energy: -81.955 tors. eta vs tors. theta energy: -161.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1734.606176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.606176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.606176 (E_RNA) where: Base-Base interactions energy: -1205.103 where: short stacking energy: -485.166 Base-Backbone interact. energy: -3.255 local terms energy: -526.248069 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -99.176 flat angles C4'-P-C4' energy: -118.669 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -135.048 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: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1487.938762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.938762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.938762 (E_RNA) where: Base-Base interactions energy: -995.017 where: short stacking energy: -435.522 Base-Backbone interact. energy: 3.284 local terms energy: -496.205806 where: bonds (distance) C4'-P energy: -102.075 bonds (distance) P-C4' energy: -94.362 flat angles C4'-P-C4' energy: -114.286 flat angles P-C4'-P energy: -64.231 tors. eta vs tors. theta energy: -121.251 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: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1454.988729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.988729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.988729 (E_RNA) where: Base-Base interactions energy: -978.073 where: short stacking energy: -389.779 Base-Backbone interact. energy: 1.007 local terms energy: -477.922671 where: bonds (distance) C4'-P energy: -97.790 bonds (distance) P-C4' energy: -90.403 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -71.164 tors. eta vs tors. theta energy: -95.034 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: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1189.526374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.526374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.526374 (E_RNA) where: Base-Base interactions energy: -769.510 where: short stacking energy: -327.383 Base-Backbone interact. energy: -1.027 local terms energy: -418.988911 where: bonds (distance) C4'-P energy: -101.944 bonds (distance) P-C4' energy: -99.382 flat angles C4'-P-C4' energy: -93.521 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: -74.854 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: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -954.992536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.992536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.992536 (E_RNA) where: Base-Base interactions energy: -564.709 where: short stacking energy: -263.228 Base-Backbone interact. energy: 0.273 local terms energy: -390.556597 where: bonds (distance) C4'-P energy: -91.408 bonds (distance) P-C4' energy: -109.810 flat angles C4'-P-C4' energy: -91.928 flat angles P-C4'-P energy: -57.352 tors. eta vs tors. theta energy: -40.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -483.869896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.869896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.869896 (E_RNA) where: Base-Base interactions energy: -179.809 where: short stacking energy: -145.906 Base-Backbone interact. energy: 1.933 local terms energy: -305.993815 where: bonds (distance) C4'-P energy: -104.806 bonds (distance) P-C4' energy: -94.359 flat angles C4'-P-C4' energy: -76.180 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: 20.130 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: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2135.535289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.535289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.535289 (E_RNA) where: Base-Base interactions energy: -1490.376 where: short stacking energy: -580.445 Base-Backbone interact. energy: -2.805 local terms energy: -642.353939 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -127.311 flat angles C4'-P-C4' energy: -126.804 flat angles P-C4'-P energy: -85.988 tors. eta vs tors. theta energy: -186.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1980.381380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.381380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.381380 (E_RNA) where: Base-Base interactions energy: -1365.728 where: short stacking energy: -565.829 Base-Backbone interact. energy: -0.450 local terms energy: -614.202987 where: bonds (distance) C4'-P energy: -104.365 bonds (distance) P-C4' energy: -114.876 flat angles C4'-P-C4' energy: -129.900 flat angles P-C4'-P energy: -98.082 tors. eta vs tors. theta energy: -166.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1863.602693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.602693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.602693 (E_RNA) where: Base-Base interactions energy: -1288.282 where: short stacking energy: -551.476 Base-Backbone interact. energy: -0.192 local terms energy: -575.128580 where: bonds (distance) C4'-P energy: -117.094 bonds (distance) P-C4' energy: -113.074 flat angles C4'-P-C4' energy: -116.094 flat angles P-C4'-P energy: -77.799 tors. eta vs tors. theta energy: -151.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1844.217457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.217457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.217457 (E_RNA) where: Base-Base interactions energy: -1285.102 where: short stacking energy: -535.572 Base-Backbone interact. energy: -1.124 local terms energy: -557.991114 where: bonds (distance) C4'-P energy: -107.228 bonds (distance) P-C4' energy: -87.796 flat angles C4'-P-C4' energy: -125.265 flat angles P-C4'-P energy: -85.672 tors. eta vs tors. theta energy: -152.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1811.139224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.139224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.139224 (E_RNA) where: Base-Base interactions energy: -1263.560 where: short stacking energy: -511.369 Base-Backbone interact. energy: -2.981 local terms energy: -544.597866 where: bonds (distance) C4'-P energy: -100.810 bonds (distance) P-C4' energy: -118.951 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -75.828 tors. eta vs tors. theta energy: -139.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1483.416686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.416686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.416686 (E_RNA) where: Base-Base interactions energy: -959.752 where: short stacking energy: -427.791 Base-Backbone interact. energy: 7.198 local terms energy: -530.862478 where: bonds (distance) C4'-P energy: -97.935 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -76.115 tors. eta vs tors. theta energy: -115.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1402.353703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.353703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.353703 (E_RNA) where: Base-Base interactions energy: -918.002 where: short stacking energy: -387.748 Base-Backbone interact. energy: 1.193 local terms energy: -485.544473 where: bonds (distance) C4'-P energy: -109.185 bonds (distance) P-C4' energy: -109.271 flat angles C4'-P-C4' energy: -100.413 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -104.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1172.631658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.631658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.631658 (E_RNA) where: Base-Base interactions energy: -742.728 where: short stacking energy: -347.052 Base-Backbone interact. energy: -0.623 local terms energy: -429.280623 where: bonds (distance) C4'-P energy: -83.597 bonds (distance) P-C4' energy: -97.909 flat angles C4'-P-C4' energy: -90.389 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -79.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -893.580980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.580980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.580980 (E_RNA) where: Base-Base interactions energy: -532.104 where: short stacking energy: -260.625 Base-Backbone interact. energy: 2.328 local terms energy: -363.804758 where: bonds (distance) C4'-P energy: -78.361 bonds (distance) P-C4' energy: -85.025 flat angles C4'-P-C4' energy: -92.417 flat angles P-C4'-P energy: -79.542 tors. eta vs tors. theta energy: -28.460 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: 396 Temperature: 1.350000 Total energy: -483.736407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.736407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.736407 (E_RNA) where: Base-Base interactions energy: -184.293 where: short stacking energy: -109.893 Base-Backbone interact. energy: 0.227 local terms energy: -299.670590 where: bonds (distance) C4'-P energy: -94.730 bonds (distance) P-C4' energy: -101.331 flat angles C4'-P-C4' energy: -71.097 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: 22.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2154.602169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.602169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.602169 (E_RNA) where: Base-Base interactions energy: -1525.274 where: short stacking energy: -610.718 Base-Backbone interact. energy: 0.812 local terms energy: -630.139966 where: bonds (distance) C4'-P energy: -101.131 bonds (distance) P-C4' energy: -131.272 flat angles C4'-P-C4' energy: -120.948 flat angles P-C4'-P energy: -99.275 tors. eta vs tors. theta energy: -177.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1984.953304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.953304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.953304 (E_RNA) where: Base-Base interactions energy: -1361.550 where: short stacking energy: -587.272 Base-Backbone interact. energy: -1.262 local terms energy: -622.141906 where: bonds (distance) C4'-P energy: -127.114 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -135.179 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -166.918 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: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1872.250360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.250360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.250360 (E_RNA) where: Base-Base interactions energy: -1267.362 where: short stacking energy: -573.195 Base-Backbone interact. energy: -3.265 local terms energy: -601.623558 where: bonds (distance) C4'-P energy: -103.193 bonds (distance) P-C4' energy: -118.403 flat angles C4'-P-C4' energy: -127.024 flat angles P-C4'-P energy: -87.074 tors. eta vs tors. theta energy: -165.930 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: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1835.060113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.060113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.060113 (E_RNA) where: Base-Base interactions energy: -1268.668 where: short stacking energy: -533.256 Base-Backbone interact. energy: -3.441 local terms energy: -562.951562 where: bonds (distance) C4'-P energy: -125.380 bonds (distance) P-C4' energy: -107.861 flat angles C4'-P-C4' energy: -124.687 flat angles P-C4'-P energy: -67.580 tors. eta vs tors. theta energy: -137.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1778.881501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.881501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.881501 (E_RNA) where: Base-Base interactions energy: -1212.704 where: short stacking energy: -511.840 Base-Backbone interact. energy: -3.359 local terms energy: -562.817925 where: bonds (distance) C4'-P energy: -108.833 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -122.368 flat angles P-C4'-P energy: -77.779 tors. eta vs tors. theta energy: -142.334 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: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1483.269797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.269797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.269797 (E_RNA) where: Base-Base interactions energy: -998.857 where: short stacking energy: -426.232 Base-Backbone interact. energy: 0.797 local terms energy: -485.210024 where: bonds (distance) C4'-P energy: -89.438 bonds (distance) P-C4' energy: -100.419 flat angles C4'-P-C4' energy: -111.290 flat angles P-C4'-P energy: -76.263 tors. eta vs tors. theta energy: -107.800 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: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1418.229064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.229064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.229064 (E_RNA) where: Base-Base interactions energy: -940.973 where: short stacking energy: -408.093 Base-Backbone interact. energy: -2.762 local terms energy: -474.493741 where: bonds (distance) C4'-P energy: -103.914 bonds (distance) P-C4' energy: -92.150 flat angles C4'-P-C4' energy: -112.031 flat angles P-C4'-P energy: -71.712 tors. eta vs tors. theta energy: -94.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1211.164351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.164351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.164351 (E_RNA) where: Base-Base interactions energy: -800.270 where: short stacking energy: -368.078 Base-Backbone interact. energy: -0.336 local terms energy: -410.558674 where: bonds (distance) C4'-P energy: -86.363 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -92.672 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -79.511 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: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -902.084226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.084226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.084226 (E_RNA) where: Base-Base interactions energy: -526.625 where: short stacking energy: -280.507 Base-Backbone interact. energy: -1.601 local terms energy: -373.857854 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -115.905 flat angles C4'-P-C4' energy: -102.263 flat angles P-C4'-P energy: -43.492 tors. eta vs tors. theta energy: -27.630 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: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -458.568603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.568603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.568603 (E_RNA) where: Base-Base interactions energy: -160.319 where: short stacking energy: -103.241 Base-Backbone interact. energy: 10.007 local terms energy: -308.256574 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -92.493 flat angles C4'-P-C4' energy: -81.800 flat angles P-C4'-P energy: -58.277 tors. eta vs tors. theta energy: 18.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2159.539003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.539003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.539003 (E_RNA) where: Base-Base interactions energy: -1517.944 where: short stacking energy: -604.964 Base-Backbone interact. energy: -0.759 local terms energy: -640.835304 where: bonds (distance) C4'-P energy: -108.256 bonds (distance) P-C4' energy: -114.675 flat angles C4'-P-C4' energy: -136.006 flat angles P-C4'-P energy: -96.311 tors. eta vs tors. theta energy: -185.587 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: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2001.098502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.098502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.098502 (E_RNA) where: Base-Base interactions energy: -1393.347 where: short stacking energy: -596.568 Base-Backbone interact. energy: -2.385 local terms energy: -605.365955 where: bonds (distance) C4'-P energy: -116.258 bonds (distance) P-C4' energy: -106.275 flat angles C4'-P-C4' energy: -126.790 flat angles P-C4'-P energy: -89.622 tors. eta vs tors. theta energy: -166.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1836.894146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.894146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.894146 (E_RNA) where: Base-Base interactions energy: -1249.637 where: short stacking energy: -512.116 Base-Backbone interact. energy: -2.420 local terms energy: -584.837243 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -125.328 flat angles C4'-P-C4' energy: -124.237 flat angles P-C4'-P energy: -89.345 tors. eta vs tors. theta energy: -148.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1840.347607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.347607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.347607 (E_RNA) where: Base-Base interactions energy: -1254.222 where: short stacking energy: -554.613 Base-Backbone interact. energy: -0.551 local terms energy: -585.574493 where: bonds (distance) C4'-P energy: -99.141 bonds (distance) P-C4' energy: -110.155 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -168.138 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: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1773.871472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.871472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.871472 (E_RNA) where: Base-Base interactions energy: -1239.078 where: short stacking energy: -517.515 Base-Backbone interact. energy: -3.877 local terms energy: -530.916573 where: bonds (distance) C4'-P energy: -77.907 bonds (distance) P-C4' energy: -123.320 flat angles C4'-P-C4' energy: -117.376 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -135.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1517.386596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.386596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.386596 (E_RNA) where: Base-Base interactions energy: -1011.357 where: short stacking energy: -445.418 Base-Backbone interact. energy: 2.994 local terms energy: -509.023025 where: bonds (distance) C4'-P energy: -118.804 bonds (distance) P-C4' energy: -106.918 flat angles C4'-P-C4' energy: -104.918 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: -120.833 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: 7, replica: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1428.461693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.461693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.461693 (E_RNA) where: Base-Base interactions energy: -943.090 where: short stacking energy: -406.700 Base-Backbone interact. energy: 2.195 local terms energy: -487.566935 where: bonds (distance) C4'-P energy: -79.102 bonds (distance) P-C4' energy: -119.286 flat angles C4'-P-C4' energy: -109.383 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: -100.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1266.450666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.450666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.450666 (E_RNA) where: Base-Base interactions energy: -818.248 where: short stacking energy: -347.352 Base-Backbone interact. energy: 6.994 local terms energy: -455.197496 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -112.966 flat angles C4'-P-C4' energy: -103.128 flat angles P-C4'-P energy: -66.217 tors. eta vs tors. theta energy: -86.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -908.829524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.829524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.829524 (E_RNA) where: Base-Base interactions energy: -530.613 where: short stacking energy: -250.768 Base-Backbone interact. energy: -1.356 local terms energy: -376.860275 where: bonds (distance) C4'-P energy: -94.362 bonds (distance) P-C4' energy: -104.529 flat angles C4'-P-C4' energy: -84.969 flat angles P-C4'-P energy: -63.702 tors. eta vs tors. theta energy: -29.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -497.432794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.432794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.432794 (E_RNA) where: Base-Base interactions energy: -195.978 where: short stacking energy: -146.760 Base-Backbone interact. energy: 0.219 local terms energy: -301.673252 where: bonds (distance) C4'-P energy: -94.930 bonds (distance) P-C4' energy: -100.631 flat angles C4'-P-C4' energy: -92.691 flat angles P-C4'-P energy: -34.539 tors. eta vs tors. theta energy: 21.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2142.477633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.477633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.477633 (E_RNA) where: Base-Base interactions energy: -1512.984 where: short stacking energy: -612.685 Base-Backbone interact. energy: -1.768 local terms energy: -627.725616 where: bonds (distance) C4'-P energy: -104.465 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -130.015 flat angles P-C4'-P energy: -85.543 tors. eta vs tors. theta energy: -193.000 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: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2013.963100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.963100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.963100 (E_RNA) where: Base-Base interactions energy: -1376.889 where: short stacking energy: -552.187 Base-Backbone interact. energy: -6.310 local terms energy: -630.763200 where: bonds (distance) C4'-P energy: -113.711 bonds (distance) P-C4' energy: -118.028 flat angles C4'-P-C4' energy: -135.979 flat angles P-C4'-P energy: -87.184 tors. eta vs tors. theta energy: -175.860 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: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1897.077716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.077716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.077716 (E_RNA) where: Base-Base interactions energy: -1295.438 where: short stacking energy: -566.467 Base-Backbone interact. energy: -1.310 local terms energy: -600.329758 where: bonds (distance) C4'-P energy: -117.393 bonds (distance) P-C4' energy: -106.449 flat angles C4'-P-C4' energy: -131.221 flat angles P-C4'-P energy: -83.890 tors. eta vs tors. theta energy: -161.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1820.186435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.186435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.186435 (E_RNA) where: Base-Base interactions energy: -1244.270 where: short stacking energy: -550.298 Base-Backbone interact. energy: -0.487 local terms energy: -575.429705 where: bonds (distance) C4'-P energy: -98.546 bonds (distance) P-C4' energy: -111.318 flat angles C4'-P-C4' energy: -115.349 flat angles P-C4'-P energy: -87.912 tors. eta vs tors. theta energy: -162.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1739.475528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.475528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.475528 (E_RNA) where: Base-Base interactions energy: -1183.923 where: short stacking energy: -500.907 Base-Backbone interact. energy: -1.526 local terms energy: -554.026766 where: bonds (distance) C4'-P energy: -92.630 bonds (distance) P-C4' energy: -113.251 flat angles C4'-P-C4' energy: -116.534 flat angles P-C4'-P energy: -76.480 tors. eta vs tors. theta energy: -155.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1522.664524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.664524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.664524 (E_RNA) where: Base-Base interactions energy: -1003.395 where: short stacking energy: -429.439 Base-Backbone interact. energy: -0.567 local terms energy: -518.702691 where: bonds (distance) C4'-P energy: -97.602 bonds (distance) P-C4' energy: -110.375 flat angles C4'-P-C4' energy: -119.932 flat angles P-C4'-P energy: -72.345 tors. eta vs tors. theta energy: -118.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1440.999872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.999872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.999872 (E_RNA) where: Base-Base interactions energy: -956.202 where: short stacking energy: -421.226 Base-Backbone interact. energy: -0.704 local terms energy: -484.094153 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -109.673 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -64.411 tors. eta vs tors. theta energy: -107.961 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: 8, replica: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1251.963863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.963863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.963863 (E_RNA) where: Base-Base interactions energy: -824.208 where: short stacking energy: -346.468 Base-Backbone interact. energy: -1.048 local terms energy: -426.707685 where: bonds (distance) C4'-P energy: -98.345 bonds (distance) P-C4' energy: -96.645 flat angles C4'-P-C4' energy: -104.882 flat angles P-C4'-P energy: -57.637 tors. eta vs tors. theta energy: -69.198 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: 4 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -968.691664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.691664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.691664 (E_RNA) where: Base-Base interactions energy: -593.745 where: short stacking energy: -276.178 Base-Backbone interact. energy: 1.512 local terms energy: -376.458314 where: bonds (distance) C4'-P energy: -85.283 bonds (distance) P-C4' energy: -95.971 flat angles C4'-P-C4' energy: -87.557 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -54.128 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: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -531.683661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.683661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.683661 (E_RNA) where: Base-Base interactions energy: -216.153 where: short stacking energy: -136.896 Base-Backbone interact. energy: 3.462 local terms energy: -318.992772 where: bonds (distance) C4'-P energy: -97.540 bonds (distance) P-C4' energy: -109.309 flat angles C4'-P-C4' energy: -88.829 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: 11.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2119.019525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.019525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.019525 (E_RNA) where: Base-Base interactions energy: -1475.050 where: short stacking energy: -607.804 Base-Backbone interact. energy: -2.867 local terms energy: -641.102443 where: bonds (distance) C4'-P energy: -116.822 bonds (distance) P-C4' energy: -121.646 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -90.811 tors. eta vs tors. theta energy: -183.189 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: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2034.137854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.137854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.137854 (E_RNA) where: Base-Base interactions energy: -1405.936 where: short stacking energy: -578.534 Base-Backbone interact. energy: -4.436 local terms energy: -623.765412 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -102.317 flat angles C4'-P-C4' energy: -139.545 flat angles P-C4'-P energy: -97.595 tors. eta vs tors. theta energy: -166.108 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: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1894.022153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.022153 (E_RNA) where: Base-Base interactions energy: -1291.825 where: short stacking energy: -556.367 Base-Backbone interact. energy: -1.928 local terms energy: -600.269361 where: bonds (distance) C4'-P energy: -109.290 bonds (distance) P-C4' energy: -125.322 flat angles C4'-P-C4' energy: -119.016 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -171.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1849.107981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.107981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.107981 (E_RNA) where: Base-Base interactions energy: -1277.809 where: short stacking energy: -550.995 Base-Backbone interact. energy: 0.824 local terms energy: -572.122783 where: bonds (distance) C4'-P energy: -99.914 bonds (distance) P-C4' energy: -114.990 flat angles C4'-P-C4' energy: -120.613 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -159.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1747.607351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.607351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.607351 (E_RNA) where: Base-Base interactions energy: -1217.048 where: short stacking energy: -500.741 Base-Backbone interact. energy: -1.552 local terms energy: -529.008103 where: bonds (distance) C4'-P energy: -98.836 bonds (distance) P-C4' energy: -109.948 flat angles C4'-P-C4' energy: -113.296 flat angles P-C4'-P energy: -66.049 tors. eta vs tors. theta energy: -140.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1484.274809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.274809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.274809 (E_RNA) where: Base-Base interactions energy: -988.109 where: short stacking energy: -418.791 Base-Backbone interact. energy: 0.926 local terms energy: -497.090996 where: bonds (distance) C4'-P energy: -97.274 bonds (distance) P-C4' energy: -120.185 flat angles C4'-P-C4' energy: -99.668 flat angles P-C4'-P energy: -69.582 tors. eta vs tors. theta energy: -110.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1393.591435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.591435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.591435 (E_RNA) where: Base-Base interactions energy: -907.153 where: short stacking energy: -381.448 Base-Backbone interact. energy: 0.389 local terms energy: -486.827783 where: bonds (distance) C4'-P energy: -85.656 bonds (distance) P-C4' energy: -115.321 flat angles C4'-P-C4' energy: -106.874 flat angles P-C4'-P energy: -72.541 tors. eta vs tors. theta energy: -106.435 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: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1244.286596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.286596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.286596 (E_RNA) where: Base-Base interactions energy: -821.751 where: short stacking energy: -374.899 Base-Backbone interact. energy: -3.431 local terms energy: -419.104239 where: bonds (distance) C4'-P energy: -88.835 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -89.240 flat angles P-C4'-P energy: -69.658 tors. eta vs tors. theta energy: -83.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -943.803910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.803910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.803910 (E_RNA) where: Base-Base interactions energy: -546.811 where: short stacking energy: -270.173 Base-Backbone interact. energy: 2.034 local terms energy: -399.026551 where: bonds (distance) C4'-P energy: -103.114 bonds (distance) P-C4' energy: -91.966 flat angles C4'-P-C4' energy: -99.713 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -43.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -578.112068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.112068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.112068 (E_RNA) where: Base-Base interactions energy: -272.787 where: short stacking energy: -162.401 Base-Backbone interact. energy: -3.068 local terms energy: -302.256986 where: bonds (distance) C4'-P energy: -78.767 bonds (distance) P-C4' energy: -94.884 flat angles C4'-P-C4' energy: -89.268 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: 11.931 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: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2127.861452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.861452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.861452 (E_RNA) where: Base-Base interactions energy: -1495.181 where: short stacking energy: -598.814 Base-Backbone interact. energy: -2.006 local terms energy: -630.674864 where: bonds (distance) C4'-P energy: -120.451 bonds (distance) P-C4' energy: -106.371 flat angles C4'-P-C4' energy: -127.603 flat angles P-C4'-P energy: -94.532 tors. eta vs tors. theta energy: -181.717 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: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2036.108294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.108294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.108294 (E_RNA) where: Base-Base interactions energy: -1430.018 where: short stacking energy: -573.187 Base-Backbone interact. energy: -2.373 local terms energy: -603.716562 where: bonds (distance) C4'-P energy: -111.220 bonds (distance) P-C4' energy: -107.804 flat angles C4'-P-C4' energy: -127.796 flat angles P-C4'-P energy: -89.271 tors. eta vs tors. theta energy: -167.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1902.175118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.175118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.175118 (E_RNA) where: Base-Base interactions energy: -1299.030 where: short stacking energy: -590.450 Base-Backbone interact. energy: -4.157 local terms energy: -598.987993 where: bonds (distance) C4'-P energy: -102.784 bonds (distance) P-C4' energy: -100.602 flat angles C4'-P-C4' energy: -139.800 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -179.941 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: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1848.068521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.068521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.068521 (E_RNA) where: Base-Base interactions energy: -1266.795 where: short stacking energy: -549.256 Base-Backbone interact. energy: -4.047 local terms energy: -577.226159 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -128.869 flat angles P-C4'-P energy: -75.150 tors. eta vs tors. theta energy: -166.254 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: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1776.953463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.953463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.953463 (E_RNA) where: Base-Base interactions energy: -1218.528 where: short stacking energy: -513.336 Base-Backbone interact. energy: -0.064 local terms energy: -558.360686 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -120.545 flat angles C4'-P-C4' energy: -124.787 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -141.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1449.541147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.541147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.541147 (E_RNA) where: Base-Base interactions energy: -966.344 where: short stacking energy: -425.561 Base-Backbone interact. energy: -1.362 local terms energy: -481.835351 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -91.060 flat angles C4'-P-C4' energy: -112.689 flat angles P-C4'-P energy: -73.937 tors. eta vs tors. theta energy: -113.416 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: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1481.689488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.689488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.689488 (E_RNA) where: Base-Base interactions energy: -984.512 where: short stacking energy: -427.305 Base-Backbone interact. energy: -0.658 local terms energy: -496.519504 where: bonds (distance) C4'-P energy: -105.182 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -107.597 flat angles P-C4'-P energy: -77.254 tors. eta vs tors. theta energy: -114.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1240.529721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.529721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.529721 (E_RNA) where: Base-Base interactions energy: -794.104 where: short stacking energy: -331.700 Base-Backbone interact. energy: 5.331 local terms energy: -451.756554 where: bonds (distance) C4'-P energy: -116.985 bonds (distance) P-C4' energy: -96.178 flat angles C4'-P-C4' energy: -98.180 flat angles P-C4'-P energy: -67.420 tors. eta vs tors. theta energy: -72.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -942.153488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.153488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.153488 (E_RNA) where: Base-Base interactions energy: -555.773 where: short stacking energy: -268.126 Base-Backbone interact. energy: -2.176 local terms energy: -384.204509 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -100.318 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -52.669 tors. eta vs tors. theta energy: -39.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -570.277184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.277184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.277184 (E_RNA) where: Base-Base interactions energy: -254.036 where: short stacking energy: -164.308 Base-Backbone interact. energy: 3.440 local terms energy: -319.681650 where: bonds (distance) C4'-P energy: -98.159 bonds (distance) P-C4' energy: -105.095 flat angles C4'-P-C4' energy: -70.786 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: 5.406 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: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2132.839374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.839374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.839374 (E_RNA) where: Base-Base interactions energy: -1495.359 where: short stacking energy: -616.403 Base-Backbone interact. energy: -3.287 local terms energy: -634.193218 where: bonds (distance) C4'-P energy: -109.281 bonds (distance) P-C4' energy: -112.655 flat angles C4'-P-C4' energy: -136.423 flat angles P-C4'-P energy: -86.918 tors. eta vs tors. theta energy: -188.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2015.839915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.839915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.839915 (E_RNA) where: Base-Base interactions energy: -1395.480 where: short stacking energy: -560.784 Base-Backbone interact. energy: -1.550 local terms energy: -618.809958 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -120.318 flat angles C4'-P-C4' energy: -131.092 flat angles P-C4'-P energy: -90.946 tors. eta vs tors. theta energy: -164.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1897.296025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.296025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.296025 (E_RNA) where: Base-Base interactions energy: -1307.580 where: short stacking energy: -584.128 Base-Backbone interact. energy: -1.689 local terms energy: -588.026789 where: bonds (distance) C4'-P energy: -112.404 bonds (distance) P-C4' energy: -107.677 flat angles C4'-P-C4' energy: -116.422 flat angles P-C4'-P energy: -75.631 tors. eta vs tors. theta energy: -175.893 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: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1851.518853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.518853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.518853 (E_RNA) where: Base-Base interactions energy: -1250.640 where: short stacking energy: -561.288 Base-Backbone interact. energy: 2.015 local terms energy: -602.893447 where: bonds (distance) C4'-P energy: -115.522 bonds (distance) P-C4' energy: -119.839 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -82.829 tors. eta vs tors. theta energy: -152.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1753.722506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.722506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.722506 (E_RNA) where: Base-Base interactions energy: -1194.081 where: short stacking energy: -502.092 Base-Backbone interact. energy: -1.299 local terms energy: -558.342328 where: bonds (distance) C4'-P energy: -114.561 bonds (distance) P-C4' energy: -111.725 flat angles C4'-P-C4' energy: -117.546 flat angles P-C4'-P energy: -80.048 tors. eta vs tors. theta energy: -134.463 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: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1393.646358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.646358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.646358 (E_RNA) where: Base-Base interactions energy: -906.996 where: short stacking energy: -402.577 Base-Backbone interact. energy: -2.768 local terms energy: -483.882329 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -103.138 flat angles C4'-P-C4' energy: -120.126 flat angles P-C4'-P energy: -74.853 tors. eta vs tors. theta energy: -90.307 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: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1435.201170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.201170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.201170 (E_RNA) where: Base-Base interactions energy: -950.246 where: short stacking energy: -423.051 Base-Backbone interact. energy: -2.855 local terms energy: -482.099888 where: bonds (distance) C4'-P energy: -84.627 bonds (distance) P-C4' energy: -97.351 flat angles C4'-P-C4' energy: -116.259 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -117.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1237.118855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.118855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.118855 (E_RNA) where: Base-Base interactions energy: -802.366 where: short stacking energy: -351.488 Base-Backbone interact. energy: 4.121 local terms energy: -438.873965 where: bonds (distance) C4'-P energy: -94.143 bonds (distance) P-C4' energy: -93.172 flat angles C4'-P-C4' energy: -118.618 flat angles P-C4'-P energy: -57.835 tors. eta vs tors. theta energy: -75.106 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: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -899.016488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.016488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.016488 (E_RNA) where: Base-Base interactions energy: -533.720 where: short stacking energy: -255.413 Base-Backbone interact. energy: 5.890 local terms energy: -371.186074 where: bonds (distance) C4'-P energy: -81.947 bonds (distance) P-C4' energy: -108.004 flat angles C4'-P-C4' energy: -86.977 flat angles P-C4'-P energy: -61.573 tors. eta vs tors. theta energy: -32.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -542.468352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.468352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.468352 (E_RNA) where: Base-Base interactions energy: -243.821 where: short stacking energy: -170.694 Base-Backbone interact. energy: -2.643 local terms energy: -296.004951 where: bonds (distance) C4'-P energy: -74.337 bonds (distance) P-C4' energy: -82.548 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -43.495 tors. eta vs tors. theta energy: -0.379 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: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2147.387619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.387619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.387619 (E_RNA) where: Base-Base interactions energy: -1502.262 where: short stacking energy: -622.673 Base-Backbone interact. energy: 2.688 local terms energy: -647.813379 where: bonds (distance) C4'-P energy: -114.284 bonds (distance) P-C4' energy: -117.258 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -96.122 tors. eta vs tors. theta energy: -182.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2032.688685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.688685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.688685 (E_RNA) where: Base-Base interactions energy: -1414.266 where: short stacking energy: -563.585 Base-Backbone interact. energy: -0.355 local terms energy: -618.068149 where: bonds (distance) C4'-P energy: -120.352 bonds (distance) P-C4' energy: -112.230 flat angles C4'-P-C4' energy: -131.437 flat angles P-C4'-P energy: -81.876 tors. eta vs tors. theta energy: -172.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1900.978252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.978252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.978252 (E_RNA) where: Base-Base interactions energy: -1328.720 where: short stacking energy: -567.795 Base-Backbone interact. energy: -2.406 local terms energy: -569.852348 where: bonds (distance) C4'-P energy: -111.144 bonds (distance) P-C4' energy: -89.763 flat angles C4'-P-C4' energy: -124.810 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -165.571 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: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1762.613748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.613748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.613748 (E_RNA) where: Base-Base interactions energy: -1215.934 where: short stacking energy: -498.109 Base-Backbone interact. energy: 0.086 local terms energy: -546.765081 where: bonds (distance) C4'-P energy: -110.871 bonds (distance) P-C4' energy: -105.547 flat angles C4'-P-C4' energy: -120.999 flat angles P-C4'-P energy: -70.165 tors. eta vs tors. theta energy: -139.183 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: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1716.604688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.604688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.604688 (E_RNA) where: Base-Base interactions energy: -1162.197 where: short stacking energy: -478.081 Base-Backbone interact. energy: -2.462 local terms energy: -551.945654 where: bonds (distance) C4'-P energy: -113.610 bonds (distance) P-C4' energy: -107.257 flat angles C4'-P-C4' energy: -109.854 flat angles P-C4'-P energy: -81.623 tors. eta vs tors. theta energy: -139.601 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: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1476.930210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.930210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.930210 (E_RNA) where: Base-Base interactions energy: -970.580 where: short stacking energy: -428.729 Base-Backbone interact. energy: -0.720 local terms energy: -505.629487 where: bonds (distance) C4'-P energy: -99.230 bonds (distance) P-C4' energy: -104.496 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -83.358 tors. eta vs tors. theta energy: -105.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1388.519411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.519411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.519411 (E_RNA) where: Base-Base interactions energy: -902.086 where: short stacking energy: -400.569 Base-Backbone interact. energy: -1.262 local terms energy: -485.170769 where: bonds (distance) C4'-P energy: -96.622 bonds (distance) P-C4' energy: -108.740 flat angles C4'-P-C4' energy: -105.555 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -99.652 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: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1277.936743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.936743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.936743 (E_RNA) where: Base-Base interactions energy: -818.144 where: short stacking energy: -366.735 Base-Backbone interact. energy: -1.846 local terms energy: -457.947014 where: bonds (distance) C4'-P energy: -101.387 bonds (distance) P-C4' energy: -96.478 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -79.272 tors. eta vs tors. theta energy: -82.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -889.419078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.419078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.419078 (E_RNA) where: Base-Base interactions energy: -490.121 where: short stacking energy: -260.816 Base-Backbone interact. energy: 0.188 local terms energy: -399.485748 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -105.295 flat angles C4'-P-C4' energy: -108.554 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -45.554 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: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -537.144076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.144076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.144076 (E_RNA) where: Base-Base interactions energy: -217.050 where: short stacking energy: -166.311 Base-Backbone interact. energy: 2.300 local terms energy: -322.393747 where: bonds (distance) C4'-P energy: -104.052 bonds (distance) P-C4' energy: -95.877 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: 5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2144.031824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.031824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.031824 (E_RNA) where: Base-Base interactions energy: -1504.382 where: short stacking energy: -607.453 Base-Backbone interact. energy: 0.087 local terms energy: -639.737059 where: bonds (distance) C4'-P energy: -118.266 bonds (distance) P-C4' energy: -116.498 flat angles C4'-P-C4' energy: -134.662 flat angles P-C4'-P energy: -86.534 tors. eta vs tors. theta energy: -183.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2020.689421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.689421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.689421 (E_RNA) where: Base-Base interactions energy: -1399.770 where: short stacking energy: -583.784 Base-Backbone interact. energy: 0.257 local terms energy: -621.176262 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -103.604 flat angles C4'-P-C4' energy: -135.434 flat angles P-C4'-P energy: -83.592 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: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1902.222795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.222795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.222795 (E_RNA) where: Base-Base interactions energy: -1303.160 where: short stacking energy: -557.126 Base-Backbone interact. energy: -3.199 local terms energy: -595.863848 where: bonds (distance) C4'-P energy: -100.849 bonds (distance) P-C4' energy: -115.787 flat angles C4'-P-C4' energy: -124.818 flat angles P-C4'-P energy: -83.207 tors. eta vs tors. theta energy: -171.202 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: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1778.479437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.479437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.479437 (E_RNA) where: Base-Base interactions energy: -1207.504 where: short stacking energy: -487.173 Base-Backbone interact. energy: -4.263 local terms energy: -566.712655 where: bonds (distance) C4'-P energy: -101.332 bonds (distance) P-C4' energy: -115.361 flat angles C4'-P-C4' energy: -131.959 flat angles P-C4'-P energy: -65.763 tors. eta vs tors. theta energy: -152.298 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: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1762.721603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.721603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.721603 (E_RNA) where: Base-Base interactions energy: -1201.893 where: short stacking energy: -499.283 Base-Backbone interact. energy: -2.411 local terms energy: -558.417513 where: bonds (distance) C4'-P energy: -117.399 bonds (distance) P-C4' energy: -103.065 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -81.120 tors. eta vs tors. theta energy: -142.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1467.971796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.971796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.971796 (E_RNA) where: Base-Base interactions energy: -963.736 where: short stacking energy: -403.069 Base-Backbone interact. energy: -0.939 local terms energy: -503.296433 where: bonds (distance) C4'-P energy: -107.132 bonds (distance) P-C4' energy: -102.028 flat angles C4'-P-C4' energy: -105.695 flat angles P-C4'-P energy: -80.623 tors. eta vs tors. theta energy: -107.817 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: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1379.405870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.405870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.405870 (E_RNA) where: Base-Base interactions energy: -898.927 where: short stacking energy: -398.365 Base-Backbone interact. energy: -0.336 local terms energy: -480.142587 where: bonds (distance) C4'-P energy: -95.900 bonds (distance) P-C4' energy: -105.595 flat angles C4'-P-C4' energy: -112.849 flat angles P-C4'-P energy: -66.502 tors. eta vs tors. theta energy: -99.296 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: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1270.550317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.550317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.550317 (E_RNA) where: Base-Base interactions energy: -786.001 where: short stacking energy: -374.418 Base-Backbone interact. energy: -1.396 local terms energy: -483.153140 where: bonds (distance) C4'-P energy: -103.456 bonds (distance) P-C4' energy: -94.430 flat angles C4'-P-C4' energy: -117.764 flat angles P-C4'-P energy: -65.142 tors. eta vs tors. theta energy: -102.361 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: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -903.781817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.781817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.781817 (E_RNA) where: Base-Base interactions energy: -542.808 where: short stacking energy: -298.465 Base-Backbone interact. energy: -1.202 local terms energy: -359.771739 where: bonds (distance) C4'-P energy: -86.437 bonds (distance) P-C4' energy: -96.788 flat angles C4'-P-C4' energy: -89.836 flat angles P-C4'-P energy: -38.117 tors. eta vs tors. theta energy: -48.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -497.390086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.390086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.390086 (E_RNA) where: Base-Base interactions energy: -194.249 where: short stacking energy: -125.841 Base-Backbone interact. energy: 2.588 local terms energy: -305.728305 where: bonds (distance) C4'-P energy: -93.512 bonds (distance) P-C4' energy: -95.155 flat angles C4'-P-C4' energy: -92.613 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: 27.244 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: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2144.314514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.314514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.314514 (E_RNA) where: Base-Base interactions energy: -1501.220 where: short stacking energy: -617.245 Base-Backbone interact. energy: -2.491 local terms energy: -640.603628 where: bonds (distance) C4'-P energy: -122.204 bonds (distance) P-C4' energy: -122.230 flat angles C4'-P-C4' energy: -127.529 flat angles P-C4'-P energy: -87.247 tors. eta vs tors. theta energy: -181.394 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: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2044.529834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.529834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.529834 (E_RNA) where: Base-Base interactions energy: -1443.777 where: short stacking energy: -566.142 Base-Backbone interact. energy: -2.343 local terms energy: -598.410024 where: bonds (distance) C4'-P energy: -115.035 bonds (distance) P-C4' energy: -110.946 flat angles C4'-P-C4' energy: -123.473 flat angles P-C4'-P energy: -85.325 tors. eta vs tors. theta energy: -163.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1957.901174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.901174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.901174 (E_RNA) where: Base-Base interactions energy: -1365.298 where: short stacking energy: -571.298 Base-Backbone interact. energy: 1.712 local terms energy: -594.314404 where: bonds (distance) C4'-P energy: -96.406 bonds (distance) P-C4' energy: -101.506 flat angles C4'-P-C4' energy: -131.742 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -176.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1810.583210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.583210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.583210 (E_RNA) where: Base-Base interactions energy: -1228.941 where: short stacking energy: -510.187 Base-Backbone interact. energy: 0.272 local terms energy: -581.914294 where: bonds (distance) C4'-P energy: -112.402 bonds (distance) P-C4' energy: -116.357 flat angles C4'-P-C4' energy: -112.334 flat angles P-C4'-P energy: -92.467 tors. eta vs tors. theta energy: -148.353 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: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1716.255355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.255355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.255355 (E_RNA) where: Base-Base interactions energy: -1175.454 where: short stacking energy: -500.628 Base-Backbone interact. energy: 5.201 local terms energy: -546.002856 where: bonds (distance) C4'-P energy: -113.625 bonds (distance) P-C4' energy: -105.485 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -73.367 tors. eta vs tors. theta energy: -135.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1425.906253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.906253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.906253 (E_RNA) where: Base-Base interactions energy: -938.588 where: short stacking energy: -402.004 Base-Backbone interact. energy: 3.490 local terms energy: -490.808398 where: bonds (distance) C4'-P energy: -105.028 bonds (distance) P-C4' energy: -108.536 flat angles C4'-P-C4' energy: -107.396 flat angles P-C4'-P energy: -77.305 tors. eta vs tors. theta energy: -92.544 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: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1346.064893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.064893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.064893 (E_RNA) where: Base-Base interactions energy: -904.875 where: short stacking energy: -353.917 Base-Backbone interact. energy: -1.106 local terms energy: -440.084501 where: bonds (distance) C4'-P energy: -102.198 bonds (distance) P-C4' energy: -107.563 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -62.262 tors. eta vs tors. theta energy: -74.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1257.993780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.993780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.993780 (E_RNA) where: Base-Base interactions energy: -802.478 where: short stacking energy: -347.139 Base-Backbone interact. energy: 3.101 local terms energy: -458.616780 where: bonds (distance) C4'-P energy: -98.431 bonds (distance) P-C4' energy: -119.837 flat angles C4'-P-C4' energy: -107.504 flat angles P-C4'-P energy: -51.936 tors. eta vs tors. theta energy: -80.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -913.836059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.836059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.836059 (E_RNA) where: Base-Base interactions energy: -517.822 where: short stacking energy: -269.303 Base-Backbone interact. energy: 7.418 local terms energy: -403.432272 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -115.254 flat angles C4'-P-C4' energy: -106.590 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -37.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -469.543350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.543350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.543350 (E_RNA) where: Base-Base interactions energy: -172.629 where: short stacking energy: -128.865 Base-Backbone interact. energy: -1.391 local terms energy: -295.523076 where: bonds (distance) C4'-P energy: -76.710 bonds (distance) P-C4' energy: -105.763 flat angles C4'-P-C4' energy: -78.809 flat angles P-C4'-P energy: -61.280 tors. eta vs tors. theta energy: 27.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2177.879377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.879377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.879377 (E_RNA) where: Base-Base interactions energy: -1519.934 where: short stacking energy: -611.756 Base-Backbone interact. energy: -5.650 local terms energy: -652.295706 where: bonds (distance) C4'-P energy: -118.429 bonds (distance) P-C4' energy: -121.819 flat angles C4'-P-C4' energy: -128.206 flat angles P-C4'-P energy: -97.109 tors. eta vs tors. theta energy: -186.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2037.018014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.018014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.018014 (E_RNA) where: Base-Base interactions energy: -1410.861 where: short stacking energy: -594.597 Base-Backbone interact. energy: -0.454 local terms energy: -625.702887 where: bonds (distance) C4'-P energy: -112.471 bonds (distance) P-C4' energy: -118.138 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -90.844 tors. eta vs tors. theta energy: -166.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1941.892216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.892216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.892216 (E_RNA) where: Base-Base interactions energy: -1316.045 where: short stacking energy: -572.881 Base-Backbone interact. energy: -0.958 local terms energy: -624.888926 where: bonds (distance) C4'-P energy: -109.342 bonds (distance) P-C4' energy: -122.143 flat angles C4'-P-C4' energy: -137.480 flat angles P-C4'-P energy: -88.712 tors. eta vs tors. theta energy: -167.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1806.616037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.616037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.616037 (E_RNA) where: Base-Base interactions energy: -1252.332 where: short stacking energy: -529.687 Base-Backbone interact. energy: -0.760 local terms energy: -553.524512 where: bonds (distance) C4'-P energy: -98.642 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -132.549 flat angles P-C4'-P energy: -67.841 tors. eta vs tors. theta energy: -131.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1701.030929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.030929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.030929 (E_RNA) where: Base-Base interactions energy: -1149.867 where: short stacking energy: -497.335 Base-Backbone interact. energy: -2.649 local terms energy: -548.514924 where: bonds (distance) C4'-P energy: -125.055 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -117.208 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: -143.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1397.963123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.963123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.963123 (E_RNA) where: Base-Base interactions energy: -936.456 where: short stacking energy: -395.339 Base-Backbone interact. energy: -4.068 local terms energy: -457.439379 where: bonds (distance) C4'-P energy: -99.035 bonds (distance) P-C4' energy: -108.807 flat angles C4'-P-C4' energy: -99.300 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -88.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1358.788232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.788232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.788232 (E_RNA) where: Base-Base interactions energy: -874.827 where: short stacking energy: -402.155 Base-Backbone interact. energy: -1.478 local terms energy: -482.482814 where: bonds (distance) C4'-P energy: -93.406 bonds (distance) P-C4' energy: -106.187 flat angles C4'-P-C4' energy: -114.014 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -94.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1244.536746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.536746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.536746 (E_RNA) where: Base-Base interactions energy: -788.664 where: short stacking energy: -364.496 Base-Backbone interact. energy: -1.337 local terms energy: -454.535434 where: bonds (distance) C4'-P energy: -96.535 bonds (distance) P-C4' energy: -116.289 flat angles C4'-P-C4' energy: -102.769 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -87.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -905.914735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.914735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.914735 (E_RNA) where: Base-Base interactions energy: -548.637 where: short stacking energy: -245.427 Base-Backbone interact. energy: 1.472 local terms energy: -358.750502 where: bonds (distance) C4'-P energy: -84.669 bonds (distance) P-C4' energy: -103.548 flat angles C4'-P-C4' energy: -90.684 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -27.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -474.790949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.790949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.790949 (E_RNA) where: Base-Base interactions energy: -160.637 where: short stacking energy: -120.577 Base-Backbone interact. energy: -0.030 local terms energy: -314.123883 where: bonds (distance) C4'-P energy: -100.166 bonds (distance) P-C4' energy: -108.092 flat angles C4'-P-C4' energy: -90.506 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: 31.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2138.095895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.095895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.095895 (E_RNA) where: Base-Base interactions energy: -1489.051 where: short stacking energy: -617.791 Base-Backbone interact. energy: -0.485 local terms energy: -648.559195 where: bonds (distance) C4'-P energy: -114.781 bonds (distance) P-C4' energy: -112.393 flat angles C4'-P-C4' energy: -134.248 flat angles P-C4'-P energy: -98.476 tors. eta vs tors. theta energy: -188.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2023.355189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.355189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.355189 (E_RNA) where: Base-Base interactions energy: -1405.985 where: short stacking energy: -593.533 Base-Backbone interact. energy: 0.167 local terms energy: -617.537571 where: bonds (distance) C4'-P energy: -113.926 bonds (distance) P-C4' energy: -108.795 flat angles C4'-P-C4' energy: -132.953 flat angles P-C4'-P energy: -84.151 tors. eta vs tors. theta energy: -177.713 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: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1948.653997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.653997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.653997 (E_RNA) where: Base-Base interactions energy: -1338.420 where: short stacking energy: -583.212 Base-Backbone interact. energy: -3.517 local terms energy: -606.716499 where: bonds (distance) C4'-P energy: -104.872 bonds (distance) P-C4' energy: -118.746 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -85.036 tors. eta vs tors. theta energy: -163.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1886.415010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.415010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.415010 (E_RNA) where: Base-Base interactions energy: -1344.081 where: short stacking energy: -559.593 Base-Backbone interact. energy: -2.232 local terms energy: -540.101442 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -106.737 flat angles C4'-P-C4' energy: -120.305 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -137.493 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: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1698.969470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.969470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.969470 (E_RNA) where: Base-Base interactions energy: -1167.696 where: short stacking energy: -484.682 Base-Backbone interact. energy: 1.174 local terms energy: -532.448087 where: bonds (distance) C4'-P energy: -92.662 bonds (distance) P-C4' energy: -108.511 flat angles C4'-P-C4' energy: -118.333 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -134.769 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: 10 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1465.212550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.212550 (E_RNA) where: Base-Base interactions energy: -944.853 where: short stacking energy: -422.791 Base-Backbone interact. energy: -3.266 local terms energy: -517.093204 where: bonds (distance) C4'-P energy: -107.974 bonds (distance) P-C4' energy: -120.510 flat angles C4'-P-C4' energy: -107.407 flat angles P-C4'-P energy: -74.677 tors. eta vs tors. theta energy: -106.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1338.285119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.285119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.285119 (E_RNA) where: Base-Base interactions energy: -892.340 where: short stacking energy: -404.772 Base-Backbone interact. energy: -1.230 local terms energy: -444.715064 where: bonds (distance) C4'-P energy: -89.503 bonds (distance) P-C4' energy: -108.315 flat angles C4'-P-C4' energy: -102.725 flat angles P-C4'-P energy: -54.697 tors. eta vs tors. theta energy: -89.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1252.837917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.837917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.837917 (E_RNA) where: Base-Base interactions energy: -794.231 where: short stacking energy: -365.020 Base-Backbone interact. energy: 0.168 local terms energy: -458.775163 where: bonds (distance) C4'-P energy: -103.797 bonds (distance) P-C4' energy: -103.544 flat angles C4'-P-C4' energy: -96.277 flat angles P-C4'-P energy: -73.240 tors. eta vs tors. theta energy: -81.918 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: 9, replica: 4 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -919.255161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.255161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.255161 (E_RNA) where: Base-Base interactions energy: -546.650 where: short stacking energy: -257.637 Base-Backbone interact. energy: -1.175 local terms energy: -371.429974 where: bonds (distance) C4'-P energy: -96.876 bonds (distance) P-C4' energy: -112.175 flat angles C4'-P-C4' energy: -76.864 flat angles P-C4'-P energy: -53.113 tors. eta vs tors. theta energy: -32.403 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: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -464.908854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.908854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.908854 (E_RNA) where: Base-Base interactions energy: -164.872 where: short stacking energy: -120.417 Base-Backbone interact. energy: 1.738 local terms energy: -301.774895 where: bonds (distance) C4'-P energy: -84.298 bonds (distance) P-C4' energy: -109.821 flat angles C4'-P-C4' energy: -84.178 flat angles P-C4'-P energy: -46.143 tors. eta vs tors. theta energy: 22.665 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: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2152.180177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.180177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.180177 (E_RNA) where: Base-Base interactions energy: -1504.205 where: short stacking energy: -628.325 Base-Backbone interact. energy: -1.793 local terms energy: -646.182394 where: bonds (distance) C4'-P energy: -119.670 bonds (distance) P-C4' energy: -119.796 flat angles C4'-P-C4' energy: -133.135 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -188.140 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: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2054.563460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.563460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.563460 (E_RNA) where: Base-Base interactions energy: -1434.658 where: short stacking energy: -601.181 Base-Backbone interact. energy: 0.238 local terms energy: -620.143567 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -108.365 flat angles C4'-P-C4' energy: -137.219 flat angles P-C4'-P energy: -75.727 tors. eta vs tors. theta energy: -183.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1965.862165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.862165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.862165 (E_RNA) where: Base-Base interactions energy: -1348.964 where: short stacking energy: -577.509 Base-Backbone interact. energy: -4.651 local terms energy: -612.247495 where: bonds (distance) C4'-P energy: -121.918 bonds (distance) P-C4' energy: -94.524 flat angles C4'-P-C4' energy: -131.653 flat angles P-C4'-P energy: -88.431 tors. eta vs tors. theta energy: -175.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1847.944163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.944163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.944163 (E_RNA) where: Base-Base interactions energy: -1271.398 where: short stacking energy: -524.807 Base-Backbone interact. energy: -3.032 local terms energy: -573.514201 where: bonds (distance) C4'-P energy: -113.356 bonds (distance) P-C4' energy: -101.755 flat angles C4'-P-C4' energy: -125.677 flat angles P-C4'-P energy: -78.399 tors. eta vs tors. theta energy: -154.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1686.646695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.646695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.646695 (E_RNA) where: Base-Base interactions energy: -1145.705 where: short stacking energy: -501.611 Base-Backbone interact. energy: -4.758 local terms energy: -536.183909 where: bonds (distance) C4'-P energy: -100.646 bonds (distance) P-C4' energy: -92.171 flat angles C4'-P-C4' energy: -124.067 flat angles P-C4'-P energy: -69.824 tors. eta vs tors. theta energy: -149.475 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: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1476.486371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.486371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.486371 (E_RNA) where: Base-Base interactions energy: -999.886 where: short stacking energy: -441.952 Base-Backbone interact. energy: -1.186 local terms energy: -475.414097 where: bonds (distance) C4'-P energy: -99.833 bonds (distance) P-C4' energy: -93.154 flat angles C4'-P-C4' energy: -118.493 flat angles P-C4'-P energy: -59.953 tors. eta vs tors. theta energy: -103.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1330.540053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.540053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.540053 (E_RNA) where: Base-Base interactions energy: -879.610 where: short stacking energy: -359.559 Base-Backbone interact. energy: 1.804 local terms energy: -452.734161 where: bonds (distance) C4'-P energy: -98.438 bonds (distance) P-C4' energy: -100.271 flat angles C4'-P-C4' energy: -99.341 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -74.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1285.392453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.392453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.392453 (E_RNA) where: Base-Base interactions energy: -858.925 where: short stacking energy: -378.848 Base-Backbone interact. energy: -1.403 local terms energy: -425.064639 where: bonds (distance) C4'-P energy: -82.382 bonds (distance) P-C4' energy: -100.403 flat angles C4'-P-C4' energy: -88.956 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -83.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -987.551960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.551960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.551960 (E_RNA) where: Base-Base interactions energy: -607.308 where: short stacking energy: -273.034 Base-Backbone interact. energy: -2.902 local terms energy: -377.341960 where: bonds (distance) C4'-P energy: -96.281 bonds (distance) P-C4' energy: -93.869 flat angles C4'-P-C4' energy: -89.191 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -48.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -458.002932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.002932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.002932 (E_RNA) where: Base-Base interactions energy: -173.324 where: short stacking energy: -111.979 Base-Backbone interact. energy: 1.471 local terms energy: -286.150233 where: bonds (distance) C4'-P energy: -79.627 bonds (distance) P-C4' energy: -103.877 flat angles C4'-P-C4' energy: -80.979 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: 37.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2135.103288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.103288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.103288 (E_RNA) where: Base-Base interactions energy: -1493.847 where: short stacking energy: -617.038 Base-Backbone interact. energy: -2.544 local terms energy: -638.712427 where: bonds (distance) C4'-P energy: -110.702 bonds (distance) P-C4' energy: -107.009 flat angles C4'-P-C4' energy: -145.926 flat angles P-C4'-P energy: -82.850 tors. eta vs tors. theta energy: -192.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2052.019044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.019044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.019044 (E_RNA) where: Base-Base interactions energy: -1435.567 where: short stacking energy: -599.470 Base-Backbone interact. energy: -1.699 local terms energy: -614.753022 where: bonds (distance) C4'-P energy: -120.220 bonds (distance) P-C4' energy: -107.271 flat angles C4'-P-C4' energy: -132.177 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -175.003 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: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1927.598814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.598814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.598814 (E_RNA) where: Base-Base interactions energy: -1333.024 where: short stacking energy: -563.959 Base-Backbone interact. energy: 0.231 local terms energy: -594.805899 where: bonds (distance) C4'-P energy: -130.380 bonds (distance) P-C4' energy: -103.795 flat angles C4'-P-C4' energy: -120.779 flat angles P-C4'-P energy: -92.811 tors. eta vs tors. theta energy: -147.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1829.800142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.800142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.800142 (E_RNA) where: Base-Base interactions energy: -1265.627 where: short stacking energy: -536.744 Base-Backbone interact. energy: -1.933 local terms energy: -562.240380 where: bonds (distance) C4'-P energy: -107.539 bonds (distance) P-C4' energy: -114.155 flat angles C4'-P-C4' energy: -112.487 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -157.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1741.422922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.422922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.422922 (E_RNA) where: Base-Base interactions energy: -1207.640 where: short stacking energy: -503.289 Base-Backbone interact. energy: -1.681 local terms energy: -532.102090 where: bonds (distance) C4'-P energy: -95.639 bonds (distance) P-C4' energy: -102.700 flat angles C4'-P-C4' energy: -117.463 flat angles P-C4'-P energy: -66.365 tors. eta vs tors. theta energy: -149.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1465.511172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.511172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.511172 (E_RNA) where: Base-Base interactions energy: -962.259 where: short stacking energy: -415.486 Base-Backbone interact. energy: -5.708 local terms energy: -497.544813 where: bonds (distance) C4'-P energy: -103.933 bonds (distance) P-C4' energy: -99.925 flat angles C4'-P-C4' energy: -115.561 flat angles P-C4'-P energy: -71.390 tors. eta vs tors. theta energy: -106.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1393.327153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.327153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.327153 (E_RNA) where: Base-Base interactions energy: -943.489 where: short stacking energy: -381.838 Base-Backbone interact. energy: -2.508 local terms energy: -447.329953 where: bonds (distance) C4'-P energy: -101.813 bonds (distance) P-C4' energy: -104.552 flat angles C4'-P-C4' energy: -90.223 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -90.247 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: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1241.755160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.755160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.755160 (E_RNA) where: Base-Base interactions energy: -807.104 where: short stacking energy: -352.040 Base-Backbone interact. energy: 0.659 local terms energy: -435.309745 where: bonds (distance) C4'-P energy: -96.719 bonds (distance) P-C4' energy: -95.926 flat angles C4'-P-C4' energy: -92.618 flat angles P-C4'-P energy: -65.724 tors. eta vs tors. theta energy: -84.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1005.289270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.289270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.289270 (E_RNA) where: Base-Base interactions energy: -621.555 where: short stacking energy: -277.347 Base-Backbone interact. energy: -2.105 local terms energy: -381.629618 where: bonds (distance) C4'-P energy: -100.795 bonds (distance) P-C4' energy: -99.239 flat angles C4'-P-C4' energy: -90.701 flat angles P-C4'-P energy: -50.256 tors. eta vs tors. theta energy: -40.638 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: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -515.526778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.526778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.526778 (E_RNA) where: Base-Base interactions energy: -213.567 where: short stacking energy: -132.254 Base-Backbone interact. energy: -2.772 local terms energy: -299.187775 where: bonds (distance) C4'-P energy: -104.935 bonds (distance) P-C4' energy: -88.280 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -41.902 tors. eta vs tors. theta energy: 22.115 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: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2116.470734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.470734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.470734 (E_RNA) where: Base-Base interactions energy: -1479.353 where: short stacking energy: -603.662 Base-Backbone interact. energy: -0.777 local terms energy: -636.340717 where: bonds (distance) C4'-P energy: -109.402 bonds (distance) P-C4' energy: -118.039 flat angles C4'-P-C4' energy: -135.098 flat angles P-C4'-P energy: -87.793 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: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2042.299176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.299176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.299176 (E_RNA) where: Base-Base interactions energy: -1416.159 where: short stacking energy: -610.132 Base-Backbone interact. energy: 0.711 local terms energy: -626.851030 where: bonds (distance) C4'-P energy: -119.864 bonds (distance) P-C4' energy: -105.174 flat angles C4'-P-C4' energy: -133.092 flat angles P-C4'-P energy: -91.342 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: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1945.553739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.553739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.553739 (E_RNA) where: Base-Base interactions energy: -1327.476 where: short stacking energy: -572.262 Base-Backbone interact. energy: -4.004 local terms energy: -614.073598 where: bonds (distance) C4'-P energy: -105.089 bonds (distance) P-C4' energy: -132.933 flat angles C4'-P-C4' energy: -118.753 flat angles P-C4'-P energy: -89.728 tors. eta vs tors. theta energy: -167.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1826.792510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.792510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.792510 (E_RNA) where: Base-Base interactions energy: -1259.010 where: short stacking energy: -524.058 Base-Backbone interact. energy: -2.282 local terms energy: -565.500492 where: bonds (distance) C4'-P energy: -108.208 bonds (distance) P-C4' energy: -104.208 flat angles C4'-P-C4' energy: -119.208 flat angles P-C4'-P energy: -88.220 tors. eta vs tors. theta energy: -145.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1761.647460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.647460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.647460 (E_RNA) where: Base-Base interactions energy: -1193.640 where: short stacking energy: -522.973 Base-Backbone interact. energy: -1.320 local terms energy: -566.687268 where: bonds (distance) C4'-P energy: -107.482 bonds (distance) P-C4' energy: -108.222 flat angles C4'-P-C4' energy: -121.849 flat angles P-C4'-P energy: -83.170 tors. eta vs tors. theta energy: -145.964 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: 6, replica: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1444.604707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.604707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.604707 (E_RNA) where: Base-Base interactions energy: -973.544 where: short stacking energy: -422.683 Base-Backbone interact. energy: -0.509 local terms energy: -470.552189 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -104.949 flat angles C4'-P-C4' energy: -113.218 flat angles P-C4'-P energy: -61.378 tors. eta vs tors. theta energy: -107.552 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: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1392.602109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.602109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.602109 (E_RNA) where: Base-Base interactions energy: -950.155 where: short stacking energy: -402.429 Base-Backbone interact. energy: -2.521 local terms energy: -439.925275 where: bonds (distance) C4'-P energy: -94.815 bonds (distance) P-C4' energy: -97.927 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1281.984061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.984061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.984061 (E_RNA) where: Base-Base interactions energy: -826.493 where: short stacking energy: -367.714 Base-Backbone interact. energy: -1.167 local terms energy: -454.323536 where: bonds (distance) C4'-P energy: -87.795 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -98.630 flat angles P-C4'-P energy: -68.064 tors. eta vs tors. theta energy: -94.026 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: 9, replica: 4 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -976.227530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.227530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.227530 (E_RNA) where: Base-Base interactions energy: -586.039 where: short stacking energy: -293.174 Base-Backbone interact. energy: -0.812 local terms energy: -389.376322 where: bonds (distance) C4'-P energy: -112.918 bonds (distance) P-C4' energy: -85.087 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -44.132 tors. eta vs tors. theta energy: -34.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -521.419794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.419794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.419794 (E_RNA) where: Base-Base interactions energy: -223.467 where: short stacking energy: -156.778 Base-Backbone interact. energy: -0.049 local terms energy: -297.903526 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -93.708 flat angles C4'-P-C4' energy: -89.728 flat angles P-C4'-P energy: -49.063 tors. eta vs tors. theta energy: 20.598 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: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2125.687617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.687617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.687617 (E_RNA) where: Base-Base interactions energy: -1491.244 where: short stacking energy: -616.399 Base-Backbone interact. energy: -3.575 local terms energy: -630.868570 where: bonds (distance) C4'-P energy: -102.592 bonds (distance) P-C4' energy: -120.543 flat angles C4'-P-C4' energy: -131.701 flat angles P-C4'-P energy: -92.870 tors. eta vs tors. theta energy: -183.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2053.760076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.760076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.760076 (E_RNA) where: Base-Base interactions energy: -1403.702 where: short stacking energy: -596.381 Base-Backbone interact. energy: -2.195 local terms energy: -647.862966 where: bonds (distance) C4'-P energy: -111.418 bonds (distance) P-C4' energy: -125.673 flat angles C4'-P-C4' energy: -137.721 flat angles P-C4'-P energy: -91.990 tors. eta vs tors. theta energy: -181.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1944.367015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.367015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.367015 (E_RNA) where: Base-Base interactions energy: -1348.973 where: short stacking energy: -572.504 Base-Backbone interact. energy: 2.710 local terms energy: -598.103429 where: bonds (distance) C4'-P energy: -105.178 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -130.477 flat angles P-C4'-P energy: -83.775 tors. eta vs tors. theta energy: -169.207 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1847.259165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.259165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.259165 (E_RNA) where: Base-Base interactions energy: -1298.097 where: short stacking energy: -563.393 Base-Backbone interact. energy: 0.192 local terms energy: -549.354574 where: bonds (distance) C4'-P energy: -97.302 bonds (distance) P-C4' energy: -100.661 flat angles C4'-P-C4' energy: -124.351 flat angles P-C4'-P energy: -76.161 tors. eta vs tors. theta energy: -150.880 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: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1769.365971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.365971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.365971 (E_RNA) where: Base-Base interactions energy: -1208.341 where: short stacking energy: -522.732 Base-Backbone interact. energy: 8.866 local terms energy: -569.891042 where: bonds (distance) C4'-P energy: -108.590 bonds (distance) P-C4' energy: -99.313 flat angles C4'-P-C4' energy: -125.655 flat angles P-C4'-P energy: -76.915 tors. eta vs tors. theta energy: -159.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1540.362983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.362983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.362983 (E_RNA) where: Base-Base interactions energy: -1028.800 where: short stacking energy: -410.307 Base-Backbone interact. energy: -1.646 local terms energy: -509.916882 where: bonds (distance) C4'-P energy: -107.733 bonds (distance) P-C4' energy: -110.430 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -72.439 tors. eta vs tors. theta energy: -110.750 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: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1421.851977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.851977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.851977 (E_RNA) where: Base-Base interactions energy: -932.516 where: short stacking energy: -411.358 Base-Backbone interact. energy: -0.606 local terms energy: -488.730068 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -104.832 flat angles C4'-P-C4' energy: -112.093 flat angles P-C4'-P energy: -71.170 tors. eta vs tors. theta energy: -97.824 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: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1274.385528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.385528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.385528 (E_RNA) where: Base-Base interactions energy: -827.384 where: short stacking energy: -385.842 Base-Backbone interact. energy: -1.349 local terms energy: -445.652785 where: bonds (distance) C4'-P energy: -104.686 bonds (distance) P-C4' energy: -98.529 flat angles C4'-P-C4' energy: -100.841 flat angles P-C4'-P energy: -59.212 tors. eta vs tors. theta energy: -82.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -980.138301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.138301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.138301 (E_RNA) where: Base-Base interactions energy: -605.517 where: short stacking energy: -263.325 Base-Backbone interact. energy: 1.105 local terms energy: -375.726181 where: bonds (distance) C4'-P energy: -91.332 bonds (distance) P-C4' energy: -107.083 flat angles C4'-P-C4' energy: -88.780 flat angles P-C4'-P energy: -52.332 tors. eta vs tors. theta energy: -36.199 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: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -567.651750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.651750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.651750 (E_RNA) where: Base-Base interactions energy: -230.674 where: short stacking energy: -153.090 Base-Backbone interact. energy: 1.878 local terms energy: -338.856546 where: bonds (distance) C4'-P energy: -88.910 bonds (distance) P-C4' energy: -98.003 flat angles C4'-P-C4' energy: -97.117 flat angles P-C4'-P energy: -54.449 tors. eta vs tors. theta energy: -0.377 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: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2086.512969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.512969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.512969 (E_RNA) where: Base-Base interactions energy: -1462.606 where: short stacking energy: -623.679 Base-Backbone interact. energy: -4.047 local terms energy: -619.860107 where: bonds (distance) C4'-P energy: -111.768 bonds (distance) P-C4' energy: -102.503 flat angles C4'-P-C4' energy: -134.092 flat angles P-C4'-P energy: -91.357 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2061.873058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.873058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.873058 (E_RNA) where: Base-Base interactions energy: -1454.436 where: short stacking energy: -592.536 Base-Backbone interact. energy: -1.558 local terms energy: -605.878436 where: bonds (distance) C4'-P energy: -114.502 bonds (distance) P-C4' energy: -114.955 flat angles C4'-P-C4' energy: -131.556 flat angles P-C4'-P energy: -72.434 tors. eta vs tors. theta energy: -172.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1943.529091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.529091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.529091 (E_RNA) where: Base-Base interactions energy: -1370.414 where: short stacking energy: -580.023 Base-Backbone interact. energy: -2.881 local terms energy: -570.234489 where: bonds (distance) C4'-P energy: -108.611 bonds (distance) P-C4' energy: -98.833 flat angles C4'-P-C4' energy: -129.373 flat angles P-C4'-P energy: -85.248 tors. eta vs tors. theta energy: -148.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1856.891987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.891987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.891987 (E_RNA) where: Base-Base interactions energy: -1279.121 where: short stacking energy: -535.162 Base-Backbone interact. energy: -1.466 local terms energy: -576.304594 where: bonds (distance) C4'-P energy: -111.195 bonds (distance) P-C4' energy: -99.645 flat angles C4'-P-C4' energy: -124.814 flat angles P-C4'-P energy: -90.095 tors. eta vs tors. theta energy: -150.557 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: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1764.117657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.117657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.117657 (E_RNA) where: Base-Base interactions energy: -1230.768 where: short stacking energy: -514.703 Base-Backbone interact. energy: -1.361 local terms energy: -531.988618 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -133.417 flat angles P-C4'-P energy: -76.583 tors. eta vs tors. theta energy: -155.277 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: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1539.807885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.807885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.807885 (E_RNA) where: Base-Base interactions energy: -1050.660 where: short stacking energy: -430.283 Base-Backbone interact. energy: 5.135 local terms energy: -494.282954 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -104.596 flat angles C4'-P-C4' energy: -118.964 flat angles P-C4'-P energy: -69.240 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: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1446.765802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.765802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.765802 (E_RNA) where: Base-Base interactions energy: -962.967 where: short stacking energy: -409.486 Base-Backbone interact. energy: -1.211 local terms energy: -482.587466 where: bonds (distance) C4'-P energy: -92.877 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -108.977 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: -102.471 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: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1292.434529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.434529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.434529 (E_RNA) where: Base-Base interactions energy: -829.791 where: short stacking energy: -368.145 Base-Backbone interact. energy: 0.640 local terms energy: -463.283709 where: bonds (distance) C4'-P energy: -83.718 bonds (distance) P-C4' energy: -99.620 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -78.426 tors. eta vs tors. theta energy: -94.473 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: 9, replica: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -960.920763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.920763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.920763 (E_RNA) where: Base-Base interactions energy: -589.342 where: short stacking energy: -263.824 Base-Backbone interact. energy: 1.847 local terms energy: -373.425936 where: bonds (distance) C4'-P energy: -86.924 bonds (distance) P-C4' energy: -103.855 flat angles C4'-P-C4' energy: -84.680 flat angles P-C4'-P energy: -61.972 tors. eta vs tors. theta energy: -35.995 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: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -548.411135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.411135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.411135 (E_RNA) where: Base-Base interactions energy: -248.423 where: short stacking energy: -154.910 Base-Backbone interact. energy: 1.284 local terms energy: -301.271368 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -119.252 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: 11.144 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: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2104.386035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.386035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.386035 (E_RNA) where: Base-Base interactions energy: -1460.942 where: short stacking energy: -628.323 Base-Backbone interact. energy: -2.271 local terms energy: -641.172478 where: bonds (distance) C4'-P energy: -112.708 bonds (distance) P-C4' energy: -116.213 flat angles C4'-P-C4' energy: -132.077 flat angles P-C4'-P energy: -92.726 tors. eta vs tors. theta energy: -187.448 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: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2061.656555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.656555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.656555 (E_RNA) where: Base-Base interactions energy: -1437.759 where: short stacking energy: -610.205 Base-Backbone interact. energy: -3.138 local terms energy: -620.759108 where: bonds (distance) C4'-P energy: -106.998 bonds (distance) P-C4' energy: -120.735 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -176.153 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: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1958.296405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.296405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.296405 (E_RNA) where: Base-Base interactions energy: -1331.109 where: short stacking energy: -576.716 Base-Backbone interact. energy: -1.221 local terms energy: -625.966607 where: bonds (distance) C4'-P energy: -115.240 bonds (distance) P-C4' energy: -112.582 flat angles C4'-P-C4' energy: -127.314 flat angles P-C4'-P energy: -98.275 tors. eta vs tors. theta energy: -172.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1842.961011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.961011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.961011 (E_RNA) where: Base-Base interactions energy: -1250.356 where: short stacking energy: -515.896 Base-Backbone interact. energy: -5.383 local terms energy: -587.221734 where: bonds (distance) C4'-P energy: -128.933 bonds (distance) P-C4' energy: -100.338 flat angles C4'-P-C4' energy: -124.713 flat angles P-C4'-P energy: -85.492 tors. eta vs tors. theta energy: -147.745 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: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1728.373933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.373933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.373933 (E_RNA) where: Base-Base interactions energy: -1179.568 where: short stacking energy: -516.355 Base-Backbone interact. energy: -5.450 local terms energy: -543.355328 where: bonds (distance) C4'-P energy: -109.313 bonds (distance) P-C4' energy: -109.208 flat angles C4'-P-C4' energy: -127.932 flat angles P-C4'-P energy: -57.042 tors. eta vs tors. theta energy: -139.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1448.860252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.860252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.860252 (E_RNA) where: Base-Base interactions energy: -984.864 where: short stacking energy: -407.621 Base-Backbone interact. energy: -2.285 local terms energy: -461.710782 where: bonds (distance) C4'-P energy: -89.236 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -101.584 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -94.821 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: 7, replica: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1429.077627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.077627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.077627 (E_RNA) where: Base-Base interactions energy: -930.253 where: short stacking energy: -408.397 Base-Backbone interact. energy: -2.566 local terms energy: -496.258489 where: bonds (distance) C4'-P energy: -106.246 bonds (distance) P-C4' energy: -103.926 flat angles C4'-P-C4' energy: -114.842 flat angles P-C4'-P energy: -75.658 tors. eta vs tors. theta energy: -95.587 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: 413 Temperature: 1.250000 Total energy: -1314.873088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.873088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.873088 (E_RNA) where: Base-Base interactions energy: -866.915 where: short stacking energy: -376.878 Base-Backbone interact. energy: 3.226 local terms energy: -451.184751 where: bonds (distance) C4'-P energy: -78.042 bonds (distance) P-C4' energy: -107.754 flat angles C4'-P-C4' energy: -117.643 flat angles P-C4'-P energy: -53.655 tors. eta vs tors. theta energy: -94.091 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: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -975.166531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.166531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.166531 (E_RNA) where: Base-Base interactions energy: -599.627 where: short stacking energy: -272.791 Base-Backbone interact. energy: -2.237 local terms energy: -373.303364 where: bonds (distance) C4'-P energy: -78.995 bonds (distance) P-C4' energy: -112.805 flat angles C4'-P-C4' energy: -105.856 flat angles P-C4'-P energy: -41.623 tors. eta vs tors. theta energy: -34.025 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: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -577.521444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.521444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.521444 (E_RNA) where: Base-Base interactions energy: -257.428 where: short stacking energy: -140.858 Base-Backbone interact. energy: 7.477 local terms energy: -327.570687 where: bonds (distance) C4'-P energy: -108.278 bonds (distance) P-C4' energy: -110.293 flat angles C4'-P-C4' energy: -85.755 flat angles P-C4'-P energy: -41.694 tors. eta vs tors. theta energy: 18.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2126.593855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.593855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.593855 (E_RNA) where: Base-Base interactions energy: -1480.397 where: short stacking energy: -647.445 Base-Backbone interact. energy: -3.075 local terms energy: -643.122356 where: bonds (distance) C4'-P energy: -98.686 bonds (distance) P-C4' energy: -133.215 flat angles C4'-P-C4' energy: -134.133 flat angles P-C4'-P energy: -88.055 tors. eta vs tors. theta energy: -189.034 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: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2063.391315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.391315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.391315 (E_RNA) where: Base-Base interactions energy: -1418.998 where: short stacking energy: -598.420 Base-Backbone interact. energy: -0.819 local terms energy: -643.574644 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -135.455 flat angles P-C4'-P energy: -89.636 tors. eta vs tors. theta energy: -177.270 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: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1927.446201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.446201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.446201 (E_RNA) where: Base-Base interactions energy: -1333.279 where: short stacking energy: -588.347 Base-Backbone interact. energy: -1.725 local terms energy: -592.442364 where: bonds (distance) C4'-P energy: -98.244 bonds (distance) P-C4' energy: -94.158 flat angles C4'-P-C4' energy: -138.359 flat angles P-C4'-P energy: -86.369 tors. eta vs tors. theta energy: -175.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1819.704329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.704329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.704329 (E_RNA) where: Base-Base interactions energy: -1268.998 where: short stacking energy: -501.855 Base-Backbone interact. energy: 0.822 local terms energy: -551.528778 where: bonds (distance) C4'-P energy: -109.952 bonds (distance) P-C4' energy: -123.658 flat angles C4'-P-C4' energy: -115.180 flat angles P-C4'-P energy: -69.070 tors. eta vs tors. theta energy: -133.669 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: 5, replica: 3 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1789.914362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.914362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.914362 (E_RNA) where: Base-Base interactions energy: -1198.816 where: short stacking energy: -496.664 Base-Backbone interact. energy: -0.656 local terms energy: -590.442116 where: bonds (distance) C4'-P energy: -111.373 bonds (distance) P-C4' energy: -112.880 flat angles C4'-P-C4' energy: -121.025 flat angles P-C4'-P energy: -85.249 tors. eta vs tors. theta energy: -159.915 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: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1522.325541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.325541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.325541 (E_RNA) where: Base-Base interactions energy: -1002.638 where: short stacking energy: -440.636 Base-Backbone interact. energy: -2.685 local terms energy: -517.003140 where: bonds (distance) C4'-P energy: -108.658 bonds (distance) P-C4' energy: -96.563 flat angles C4'-P-C4' energy: -123.596 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -120.779 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: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1454.814592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.814592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.814592 (E_RNA) where: Base-Base interactions energy: -977.925 where: short stacking energy: -419.052 Base-Backbone interact. energy: -2.337 local terms energy: -474.552705 where: bonds (distance) C4'-P energy: -74.054 bonds (distance) P-C4' energy: -103.756 flat angles C4'-P-C4' energy: -117.921 flat angles P-C4'-P energy: -79.016 tors. eta vs tors. theta energy: -99.806 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: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1274.366875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.366875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.366875 (E_RNA) where: Base-Base interactions energy: -829.460 where: short stacking energy: -387.641 Base-Backbone interact. energy: 1.069 local terms energy: -445.975528 where: bonds (distance) C4'-P energy: -92.199 bonds (distance) P-C4' energy: -90.994 flat angles C4'-P-C4' energy: -105.655 flat angles P-C4'-P energy: -72.880 tors. eta vs tors. theta energy: -84.247 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: 9, replica: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1021.443027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.443027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.443027 (E_RNA) where: Base-Base interactions energy: -604.720 where: short stacking energy: -290.898 Base-Backbone interact. energy: -0.082 local terms energy: -416.640738 where: bonds (distance) C4'-P energy: -87.461 bonds (distance) P-C4' energy: -106.868 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -67.070 tors. eta vs tors. theta energy: -60.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -511.458297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.458297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.458297 (E_RNA) where: Base-Base interactions energy: -202.769 where: short stacking energy: -141.092 Base-Backbone interact. energy: 4.189 local terms energy: -312.877576 where: bonds (distance) C4'-P energy: -80.660 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -78.177 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: 7.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2124.961674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.961674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.961674 (E_RNA) where: Base-Base interactions energy: -1454.076 where: short stacking energy: -606.258 Base-Backbone interact. energy: -4.214 local terms energy: -666.671434 where: bonds (distance) C4'-P energy: -119.423 bonds (distance) P-C4' energy: -126.016 flat angles C4'-P-C4' energy: -134.785 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -188.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2065.905729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.905729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.905729 (E_RNA) where: Base-Base interactions energy: -1439.160 where: short stacking energy: -607.001 Base-Backbone interact. energy: -1.820 local terms energy: -624.925554 where: bonds (distance) C4'-P energy: -105.372 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -141.379 flat angles P-C4'-P energy: -88.927 tors. eta vs tors. theta energy: -171.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1958.725932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.725932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.725932 (E_RNA) where: Base-Base interactions energy: -1341.679 where: short stacking energy: -573.507 Base-Backbone interact. energy: -1.083 local terms energy: -615.964258 where: bonds (distance) C4'-P energy: -107.343 bonds (distance) P-C4' energy: -113.828 flat angles C4'-P-C4' energy: -129.312 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -171.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1860.281010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.281010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.281010 (E_RNA) where: Base-Base interactions energy: -1291.562 where: short stacking energy: -554.165 Base-Backbone interact. energy: 3.360 local terms energy: -572.078676 where: bonds (distance) C4'-P energy: -98.179 bonds (distance) P-C4' energy: -106.305 flat angles C4'-P-C4' energy: -119.917 flat angles P-C4'-P energy: -84.563 tors. eta vs tors. theta energy: -163.115 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: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1777.255975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.255975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.255975 (E_RNA) where: Base-Base interactions energy: -1229.523 where: short stacking energy: -508.483 Base-Backbone interact. energy: 2.061 local terms energy: -549.794701 where: bonds (distance) C4'-P energy: -107.111 bonds (distance) P-C4' energy: -115.536 flat angles C4'-P-C4' energy: -117.212 flat angles P-C4'-P energy: -68.782 tors. eta vs tors. theta energy: -141.153 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: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1534.788845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.788845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.788845 (E_RNA) where: Base-Base interactions energy: -1022.074 where: short stacking energy: -460.158 Base-Backbone interact. energy: -0.942 local terms energy: -511.772094 where: bonds (distance) C4'-P energy: -108.025 bonds (distance) P-C4' energy: -101.301 flat angles C4'-P-C4' energy: -112.227 flat angles P-C4'-P energy: -69.269 tors. eta vs tors. theta energy: -120.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1414.810870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.810870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.810870 (E_RNA) where: Base-Base interactions energy: -936.809 where: short stacking energy: -408.405 Base-Backbone interact. energy: 1.311 local terms energy: -479.312659 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -88.428 flat angles C4'-P-C4' energy: -103.353 flat angles P-C4'-P energy: -79.073 tors. eta vs tors. theta energy: -104.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1293.007185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.007185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.007185 (E_RNA) where: Base-Base interactions energy: -825.414 where: short stacking energy: -386.879 Base-Backbone interact. energy: 1.957 local terms energy: -469.549549 where: bonds (distance) C4'-P energy: -102.697 bonds (distance) P-C4' energy: -106.005 flat angles C4'-P-C4' energy: -100.082 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -89.838 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: 9, replica: 4 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -984.801751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.801751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.801751 (E_RNA) where: Base-Base interactions energy: -584.730 where: short stacking energy: -253.865 Base-Backbone interact. energy: -1.789 local terms energy: -398.282997 where: bonds (distance) C4'-P energy: -99.971 bonds (distance) P-C4' energy: -114.182 flat angles C4'-P-C4' energy: -104.510 flat angles P-C4'-P energy: -50.049 tors. eta vs tors. theta energy: -29.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -547.061197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.061197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.061197 (E_RNA) where: Base-Base interactions energy: -240.896 where: short stacking energy: -175.783 Base-Backbone interact. energy: 3.900 local terms energy: -310.064367 where: bonds (distance) C4'-P energy: -96.326 bonds (distance) P-C4' energy: -99.053 flat angles C4'-P-C4' energy: -77.772 flat angles P-C4'-P energy: -46.746 tors. eta vs tors. theta energy: 9.833 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: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2106.333516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.333516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.333516 (E_RNA) where: Base-Base interactions energy: -1462.642 where: short stacking energy: -635.526 Base-Backbone interact. energy: -0.771 local terms energy: -642.920691 where: bonds (distance) C4'-P energy: -120.670 bonds (distance) P-C4' energy: -113.115 flat angles C4'-P-C4' energy: -132.635 flat angles P-C4'-P energy: -87.197 tors. eta vs tors. theta energy: -189.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2078.691056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.691056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.691056 (E_RNA) where: Base-Base interactions energy: -1455.743 where: short stacking energy: -610.440 Base-Backbone interact. energy: -3.229 local terms energy: -619.719783 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -108.811 flat angles C4'-P-C4' energy: -128.562 flat angles P-C4'-P energy: -86.387 tors. eta vs tors. theta energy: -179.263 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: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1925.609423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.609423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.609423 (E_RNA) where: Base-Base interactions energy: -1321.316 where: short stacking energy: -569.951 Base-Backbone interact. energy: -3.639 local terms energy: -600.654829 where: bonds (distance) C4'-P energy: -119.050 bonds (distance) P-C4' energy: -116.512 flat angles C4'-P-C4' energy: -130.752 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -164.789 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: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1842.853774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.853774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.853774 (E_RNA) where: Base-Base interactions energy: -1263.909 where: short stacking energy: -536.633 Base-Backbone interact. energy: -2.893 local terms energy: -576.052382 where: bonds (distance) C4'-P energy: -95.818 bonds (distance) P-C4' energy: -132.511 flat angles C4'-P-C4' energy: -118.063 flat angles P-C4'-P energy: -75.799 tors. eta vs tors. theta energy: -153.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1759.949621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.949621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.949621 (E_RNA) where: Base-Base interactions energy: -1247.107 where: short stacking energy: -524.943 Base-Backbone interact. energy: -2.781 local terms energy: -510.062008 where: bonds (distance) C4'-P energy: -106.102 bonds (distance) P-C4' energy: -94.389 flat angles C4'-P-C4' energy: -120.337 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -132.738 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: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1558.979568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.979568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.979568 (E_RNA) where: Base-Base interactions energy: -1044.780 where: short stacking energy: -434.436 Base-Backbone interact. energy: -1.628 local terms energy: -512.571659 where: bonds (distance) C4'-P energy: -105.529 bonds (distance) P-C4' energy: -104.180 flat angles C4'-P-C4' energy: -114.957 flat angles P-C4'-P energy: -79.000 tors. eta vs tors. theta energy: -108.905 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: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1462.600443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.600443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.600443 (E_RNA) where: Base-Base interactions energy: -963.538 where: short stacking energy: -420.202 Base-Backbone interact. energy: -3.496 local terms energy: -495.566339 where: bonds (distance) C4'-P energy: -94.569 bonds (distance) P-C4' energy: -93.680 flat angles C4'-P-C4' energy: -123.610 flat angles P-C4'-P energy: -69.742 tors. eta vs tors. theta energy: -113.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1234.170288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.170288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.170288 (E_RNA) where: Base-Base interactions energy: -758.041 where: short stacking energy: -366.742 Base-Backbone interact. energy: 1.777 local terms energy: -477.905576 where: bonds (distance) C4'-P energy: -98.464 bonds (distance) P-C4' energy: -99.130 flat angles C4'-P-C4' energy: -123.567 flat angles P-C4'-P energy: -59.776 tors. eta vs tors. theta energy: -96.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -992.840309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.840309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.840309 (E_RNA) where: Base-Base interactions energy: -635.218 where: short stacking energy: -270.904 Base-Backbone interact. energy: -2.786 local terms energy: -354.836065 where: bonds (distance) C4'-P energy: -98.667 bonds (distance) P-C4' energy: -100.148 flat angles C4'-P-C4' energy: -72.200 flat angles P-C4'-P energy: -58.270 tors. eta vs tors. theta energy: -25.552 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: 416 Temperature: 1.350000 Total energy: -548.712854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.712854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.712854 (E_RNA) where: Base-Base interactions energy: -250.400 where: short stacking energy: -143.075 Base-Backbone interact. energy: 1.389 local terms energy: -299.701897 where: bonds (distance) C4'-P energy: -83.543 bonds (distance) P-C4' energy: -97.077 flat angles C4'-P-C4' energy: -79.986 flat angles P-C4'-P energy: -37.824 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2107.889256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.889256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.889256 (E_RNA) where: Base-Base interactions energy: -1475.107 where: short stacking energy: -634.776 Base-Backbone interact. energy: -4.258 local terms energy: -628.523804 where: bonds (distance) C4'-P energy: -115.584 bonds (distance) P-C4' energy: -108.342 flat angles C4'-P-C4' energy: -131.363 flat angles P-C4'-P energy: -92.883 tors. eta vs tors. theta energy: -180.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2068.932883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.932883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.932883 (E_RNA) where: Base-Base interactions energy: -1444.288 where: short stacking energy: -599.241 Base-Backbone interact. energy: -1.988 local terms energy: -622.656908 where: bonds (distance) C4'-P energy: -120.303 bonds (distance) P-C4' energy: -118.911 flat angles C4'-P-C4' energy: -129.141 flat angles P-C4'-P energy: -91.039 tors. eta vs tors. theta energy: -163.263 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: 3, replica: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1944.160107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.160107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.160107 (E_RNA) where: Base-Base interactions energy: -1332.165 where: short stacking energy: -565.573 Base-Backbone interact. energy: -2.380 local terms energy: -609.615382 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -105.168 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -88.523 tors. eta vs tors. theta energy: -167.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1863.090329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.090329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.090329 (E_RNA) where: Base-Base interactions energy: -1272.022 where: short stacking energy: -537.934 Base-Backbone interact. energy: -1.765 local terms energy: -589.303577 where: bonds (distance) C4'-P energy: -113.660 bonds (distance) P-C4' energy: -110.922 flat angles C4'-P-C4' energy: -125.954 flat angles P-C4'-P energy: -85.695 tors. eta vs tors. theta energy: -153.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1740.546057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.546057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.546057 (E_RNA) where: Base-Base interactions energy: -1203.029 where: short stacking energy: -503.329 Base-Backbone interact. energy: 3.352 local terms energy: -540.869054 where: bonds (distance) C4'-P energy: -106.021 bonds (distance) P-C4' energy: -117.093 flat angles C4'-P-C4' energy: -106.332 flat angles P-C4'-P energy: -75.143 tors. eta vs tors. theta energy: -136.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1503.453535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.453535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.453535 (E_RNA) where: Base-Base interactions energy: -1014.536 where: short stacking energy: -427.478 Base-Backbone interact. energy: 4.036 local terms energy: -492.952987 where: bonds (distance) C4'-P energy: -105.715 bonds (distance) P-C4' energy: -109.957 flat angles C4'-P-C4' energy: -107.079 flat angles P-C4'-P energy: -67.087 tors. eta vs tors. theta energy: -103.115 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1462.491713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.491713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.491713 (E_RNA) where: Base-Base interactions energy: -977.200 where: short stacking energy: -397.134 Base-Backbone interact. energy: 0.277 local terms energy: -485.568954 where: bonds (distance) C4'-P energy: -112.907 bonds (distance) P-C4' energy: -98.598 flat angles C4'-P-C4' energy: -112.511 flat angles P-C4'-P energy: -74.042 tors. eta vs tors. theta energy: -87.510 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: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1329.297017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.297017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.297017 (E_RNA) where: Base-Base interactions energy: -853.124 where: short stacking energy: -358.267 Base-Backbone interact. energy: -2.124 local terms energy: -474.048780 where: bonds (distance) C4'-P energy: -110.376 bonds (distance) P-C4' energy: -105.962 flat angles C4'-P-C4' energy: -107.556 flat angles P-C4'-P energy: -67.697 tors. eta vs tors. theta energy: -82.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1022.428886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.428886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.428886 (E_RNA) where: Base-Base interactions energy: -608.587 where: short stacking energy: -295.884 Base-Backbone interact. energy: 1.962 local terms energy: -415.804320 where: bonds (distance) C4'-P energy: -99.254 bonds (distance) P-C4' energy: -108.983 flat angles C4'-P-C4' energy: -92.907 flat angles P-C4'-P energy: -69.489 tors. eta vs tors. theta energy: -45.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -555.282043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.282043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.282043 (E_RNA) where: Base-Base interactions energy: -241.668 where: short stacking energy: -147.467 Base-Backbone interact. energy: 0.977 local terms energy: -314.590911 where: bonds (distance) C4'-P energy: -91.790 bonds (distance) P-C4' energy: -99.179 flat angles C4'-P-C4' energy: -91.594 flat angles P-C4'-P energy: -44.489 tors. eta vs tors. theta energy: 12.462 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: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2108.088643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.088643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.088643 (E_RNA) where: Base-Base interactions energy: -1450.182 where: short stacking energy: -608.954 Base-Backbone interact. energy: -3.232 local terms energy: -654.674745 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -113.652 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -89.748 tors. eta vs tors. theta energy: -183.448 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: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2066.293435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.293435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.293435 (E_RNA) where: Base-Base interactions energy: -1440.468 where: short stacking energy: -583.879 Base-Backbone interact. energy: -2.794 local terms energy: -623.031741 where: bonds (distance) C4'-P energy: -104.359 bonds (distance) P-C4' energy: -127.495 flat angles C4'-P-C4' energy: -134.451 flat angles P-C4'-P energy: -89.116 tors. eta vs tors. theta energy: -167.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1945.009368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.009368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.009368 (E_RNA) where: Base-Base interactions energy: -1332.192 where: short stacking energy: -585.714 Base-Backbone interact. energy: -0.704 local terms energy: -612.113684 where: bonds (distance) C4'-P energy: -115.350 bonds (distance) P-C4' energy: -123.648 flat angles C4'-P-C4' energy: -123.886 flat angles P-C4'-P energy: -75.931 tors. eta vs tors. theta energy: -173.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1839.849077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.849077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.849077 (E_RNA) where: Base-Base interactions energy: -1240.316 where: short stacking energy: -527.523 Base-Backbone interact. energy: -1.674 local terms energy: -597.858777 where: bonds (distance) C4'-P energy: -127.468 bonds (distance) P-C4' energy: -109.803 flat angles C4'-P-C4' energy: -128.811 flat angles P-C4'-P energy: -69.482 tors. eta vs tors. theta energy: -162.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1803.120729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.120729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.120729 (E_RNA) where: Base-Base interactions energy: -1259.362 where: short stacking energy: -507.129 Base-Backbone interact. energy: 1.173 local terms energy: -544.932195 where: bonds (distance) C4'-P energy: -105.996 bonds (distance) P-C4' energy: -110.696 flat angles C4'-P-C4' energy: -125.427 flat angles P-C4'-P energy: -55.819 tors. eta vs tors. theta energy: -146.994 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: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1544.563597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.563597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.563597 (E_RNA) where: Base-Base interactions energy: -1041.740 where: short stacking energy: -437.377 Base-Backbone interact. energy: -0.598 local terms energy: -502.224896 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -96.941 flat angles C4'-P-C4' energy: -109.384 flat angles P-C4'-P energy: -71.644 tors. eta vs tors. theta energy: -118.962 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: 7, replica: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1439.999508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.999508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.999508 (E_RNA) where: Base-Base interactions energy: -936.823 where: short stacking energy: -408.206 Base-Backbone interact. energy: -3.345 local terms energy: -499.831376 where: bonds (distance) C4'-P energy: -100.864 bonds (distance) P-C4' energy: -111.823 flat angles C4'-P-C4' energy: -127.548 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -106.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1282.377420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.377420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.377420 (E_RNA) where: Base-Base interactions energy: -828.578 where: short stacking energy: -354.407 Base-Backbone interact. energy: -2.843 local terms energy: -450.956673 where: bonds (distance) C4'-P energy: -86.352 bonds (distance) P-C4' energy: -101.109 flat angles C4'-P-C4' energy: -108.121 flat angles P-C4'-P energy: -63.425 tors. eta vs tors. theta energy: -91.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -996.738135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.738135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.738135 (E_RNA) where: Base-Base interactions energy: -623.682 where: short stacking energy: -282.123 Base-Backbone interact. energy: 4.771 local terms energy: -377.826974 where: bonds (distance) C4'-P energy: -76.638 bonds (distance) P-C4' energy: -102.714 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -67.044 tors. eta vs tors. theta energy: -40.330 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: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -583.609919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.609919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.609919 (E_RNA) where: Base-Base interactions energy: -307.480 where: short stacking energy: -145.146 Base-Backbone interact. energy: -0.365 local terms energy: -275.764125 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -105.609 flat angles C4'-P-C4' energy: -58.081 flat angles P-C4'-P energy: -32.455 tors. eta vs tors. theta energy: 18.878 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: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2091.634043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.634043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.634043 (E_RNA) where: Base-Base interactions energy: -1456.911 where: short stacking energy: -602.189 Base-Backbone interact. energy: -0.257 local terms energy: -634.465931 where: bonds (distance) C4'-P energy: -102.211 bonds (distance) P-C4' energy: -120.214 flat angles C4'-P-C4' energy: -130.711 flat angles P-C4'-P energy: -96.099 tors. eta vs tors. theta energy: -185.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2071.126125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.126125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.126125 (E_RNA) where: Base-Base interactions energy: -1436.010 where: short stacking energy: -611.642 Base-Backbone interact. energy: -3.011 local terms energy: -632.105225 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -125.518 flat angles C4'-P-C4' energy: -125.712 flat angles P-C4'-P energy: -86.878 tors. eta vs tors. theta energy: -180.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1929.755136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.755136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.755136 (E_RNA) where: Base-Base interactions energy: -1321.136 where: short stacking energy: -570.147 Base-Backbone interact. energy: -1.636 local terms energy: -606.983269 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -99.990 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -88.742 tors. eta vs tors. theta energy: -180.357 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: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1874.959554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.959554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.959554 (E_RNA) where: Base-Base interactions energy: -1264.659 where: short stacking energy: -556.225 Base-Backbone interact. energy: -1.154 local terms energy: -609.145698 where: bonds (distance) C4'-P energy: -104.092 bonds (distance) P-C4' energy: -126.690 flat angles C4'-P-C4' energy: -120.752 flat angles P-C4'-P energy: -93.080 tors. eta vs tors. theta energy: -164.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1780.775066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.775066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.775066 (E_RNA) where: Base-Base interactions energy: -1221.600 where: short stacking energy: -487.784 Base-Backbone interact. energy: 1.389 local terms energy: -560.564298 where: bonds (distance) C4'-P energy: -106.823 bonds (distance) P-C4' energy: -110.846 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -82.790 tors. eta vs tors. theta energy: -140.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1559.425264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.425264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.425264 (E_RNA) where: Base-Base interactions energy: -1049.940 where: short stacking energy: -448.429 Base-Backbone interact. energy: -2.955 local terms energy: -506.530729 where: bonds (distance) C4'-P energy: -104.065 bonds (distance) P-C4' energy: -115.454 flat angles C4'-P-C4' energy: -109.365 flat angles P-C4'-P energy: -60.856 tors. eta vs tors. theta energy: -116.791 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: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1440.429994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.429994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.429994 (E_RNA) where: Base-Base interactions energy: -959.891 where: short stacking energy: -420.942 Base-Backbone interact. energy: 0.005 local terms energy: -480.544221 where: bonds (distance) C4'-P energy: -92.025 bonds (distance) P-C4' energy: -89.920 flat angles C4'-P-C4' energy: -103.012 flat angles P-C4'-P energy: -90.635 tors. eta vs tors. theta energy: -104.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1284.141888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.141888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.141888 (E_RNA) where: Base-Base interactions energy: -822.914 where: short stacking energy: -363.385 Base-Backbone interact. energy: -1.979 local terms energy: -459.248046 where: bonds (distance) C4'-P energy: -116.734 bonds (distance) P-C4' energy: -91.649 flat angles C4'-P-C4' energy: -100.002 flat angles P-C4'-P energy: -61.159 tors. eta vs tors. theta energy: -89.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1048.255541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.255541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.255541 (E_RNA) where: Base-Base interactions energy: -631.209 where: short stacking energy: -279.689 Base-Backbone interact. energy: -0.014 local terms energy: -417.033234 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -102.696 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -56.187 tors. eta vs tors. theta energy: -46.601 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: 419 Temperature: 1.350000 Total energy: -521.314190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.314190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.314190 (E_RNA) where: Base-Base interactions energy: -233.741 where: short stacking energy: -168.820 Base-Backbone interact. energy: 1.269 local terms energy: -288.842507 where: bonds (distance) C4'-P energy: -94.889 bonds (distance) P-C4' energy: -73.400 flat angles C4'-P-C4' energy: -58.284 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2103.963433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.963433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.963433 (E_RNA) where: Base-Base interactions energy: -1459.909 where: short stacking energy: -625.423 Base-Backbone interact. energy: 2.311 local terms energy: -646.364856 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -125.708 flat angles C4'-P-C4' energy: -133.725 flat angles P-C4'-P energy: -78.395 tors. eta vs tors. theta energy: -185.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2080.261777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.261777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.261777 (E_RNA) where: Base-Base interactions energy: -1438.711 where: short stacking energy: -629.486 Base-Backbone interact. energy: -1.663 local terms energy: -639.888201 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -118.566 flat angles C4'-P-C4' energy: -140.781 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -177.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1970.137401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.137401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.137401 (E_RNA) where: Base-Base interactions energy: -1352.856 where: short stacking energy: -575.756 Base-Backbone interact. energy: 0.557 local terms energy: -617.838635 where: bonds (distance) C4'-P energy: -122.982 bonds (distance) P-C4' energy: -112.045 flat angles C4'-P-C4' energy: -124.797 flat angles P-C4'-P energy: -89.752 tors. eta vs tors. theta energy: -168.264 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: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1838.782532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.782532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.782532 (E_RNA) where: Base-Base interactions energy: -1238.652 where: short stacking energy: -526.170 Base-Backbone interact. energy: -1.685 local terms energy: -598.445947 where: bonds (distance) C4'-P energy: -121.678 bonds (distance) P-C4' energy: -110.177 flat angles C4'-P-C4' energy: -119.799 flat angles P-C4'-P energy: -87.947 tors. eta vs tors. theta energy: -158.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1756.796490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.796490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.796490 (E_RNA) where: Base-Base interactions energy: -1220.464 where: short stacking energy: -490.413 Base-Backbone interact. energy: -0.881 local terms energy: -535.451868 where: bonds (distance) C4'-P energy: -97.183 bonds (distance) P-C4' energy: -104.137 flat angles C4'-P-C4' energy: -120.404 flat angles P-C4'-P energy: -73.926 tors. eta vs tors. theta energy: -139.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1594.638569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.638569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.638569 (E_RNA) where: Base-Base interactions energy: -1075.274 where: short stacking energy: -473.945 Base-Backbone interact. energy: -2.789 local terms energy: -516.575296 where: bonds (distance) C4'-P energy: -97.112 bonds (distance) P-C4' energy: -105.165 flat angles C4'-P-C4' energy: -108.294 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -134.045 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: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1443.778719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.778719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.778719 (E_RNA) where: Base-Base interactions energy: -967.316 where: short stacking energy: -423.121 Base-Backbone interact. energy: -2.001 local terms energy: -474.462015 where: bonds (distance) C4'-P energy: -113.158 bonds (distance) P-C4' energy: -84.601 flat angles C4'-P-C4' energy: -115.278 flat angles P-C4'-P energy: -63.476 tors. eta vs tors. theta energy: -97.949 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: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1297.828192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.828192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.828192 (E_RNA) where: Base-Base interactions energy: -828.219 where: short stacking energy: -372.313 Base-Backbone interact. energy: 0.158 local terms energy: -469.767126 where: bonds (distance) C4'-P energy: -107.018 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -94.576 flat angles P-C4'-P energy: -76.163 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: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1029.277456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.277456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.277456 (E_RNA) where: Base-Base interactions energy: -617.015 where: short stacking energy: -305.446 Base-Backbone interact. energy: 2.125 local terms energy: -414.387265 where: bonds (distance) C4'-P energy: -87.984 bonds (distance) P-C4' energy: -108.672 flat angles C4'-P-C4' energy: -96.205 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -49.099 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: 420 Temperature: 1.350000 Total energy: -543.450644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.450644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.450644 (E_RNA) where: Base-Base interactions energy: -228.068 where: short stacking energy: -155.244 Base-Backbone interact. energy: 6.388 local terms energy: -321.770516 where: bonds (distance) C4'-P energy: -100.356 bonds (distance) P-C4' energy: -99.152 flat angles C4'-P-C4' energy: -98.729 flat angles P-C4'-P energy: -41.705 tors. eta vs tors. theta energy: 18.171 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: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2114.946256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.946256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.946256 (E_RNA) where: Base-Base interactions energy: -1456.358 where: short stacking energy: -628.860 Base-Backbone interact. energy: -3.102 local terms energy: -655.485879 where: bonds (distance) C4'-P energy: -122.404 bonds (distance) P-C4' energy: -122.291 flat angles C4'-P-C4' energy: -134.255 flat angles P-C4'-P energy: -86.239 tors. eta vs tors. theta energy: -190.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2062.147152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.147152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.147152 (E_RNA) where: Base-Base interactions energy: -1418.378 where: short stacking energy: -627.864 Base-Backbone interact. energy: -1.389 local terms energy: -642.380114 where: bonds (distance) C4'-P energy: -107.403 bonds (distance) P-C4' energy: -120.605 flat angles C4'-P-C4' energy: -144.173 flat angles P-C4'-P energy: -84.301 tors. eta vs tors. theta energy: -185.898 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: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1947.822951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.822951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.822951 (E_RNA) where: Base-Base interactions energy: -1328.766 where: short stacking energy: -567.402 Base-Backbone interact. energy: -2.508 local terms energy: -616.549387 where: bonds (distance) C4'-P energy: -118.030 bonds (distance) P-C4' energy: -105.578 flat angles C4'-P-C4' energy: -143.023 flat angles P-C4'-P energy: -88.134 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: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1821.141323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.141323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.141323 (E_RNA) where: Base-Base interactions energy: -1243.367 where: short stacking energy: -518.656 Base-Backbone interact. energy: 3.066 local terms energy: -580.840947 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -111.002 flat angles C4'-P-C4' energy: -121.126 flat angles P-C4'-P energy: -90.032 tors. eta vs tors. theta energy: -151.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1715.927583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.927583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.927583 (E_RNA) where: Base-Base interactions energy: -1157.825 where: short stacking energy: -490.772 Base-Backbone interact. energy: -2.846 local terms energy: -555.256910 where: bonds (distance) C4'-P energy: -113.488 bonds (distance) P-C4' energy: -109.148 flat angles C4'-P-C4' energy: -119.701 flat angles P-C4'-P energy: -77.550 tors. eta vs tors. theta energy: -135.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1542.211402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.211402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.211402 (E_RNA) where: Base-Base interactions energy: -1018.832 where: short stacking energy: -449.898 Base-Backbone interact. energy: -2.413 local terms energy: -520.967044 where: bonds (distance) C4'-P energy: -93.685 bonds (distance) P-C4' energy: -121.902 flat angles C4'-P-C4' energy: -115.252 flat angles P-C4'-P energy: -69.190 tors. eta vs tors. theta energy: -120.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1395.454016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.454016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.454016 (E_RNA) where: Base-Base interactions energy: -929.331 where: short stacking energy: -398.601 Base-Backbone interact. energy: 1.375 local terms energy: -467.498475 where: bonds (distance) C4'-P energy: -99.263 bonds (distance) P-C4' energy: -101.784 flat angles C4'-P-C4' energy: -101.787 flat angles P-C4'-P energy: -65.031 tors. eta vs tors. theta energy: -99.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1300.212101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.212101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.212101 (E_RNA) where: Base-Base interactions energy: -856.151 where: short stacking energy: -405.124 Base-Backbone interact. energy: 4.224 local terms energy: -448.285327 where: bonds (distance) C4'-P energy: -76.753 bonds (distance) P-C4' energy: -89.353 flat angles C4'-P-C4' energy: -108.795 flat angles P-C4'-P energy: -69.116 tors. eta vs tors. theta energy: -104.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -992.686214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.686214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.686214 (E_RNA) where: Base-Base interactions energy: -612.336 where: short stacking energy: -267.376 Base-Backbone interact. energy: -1.251 local terms energy: -379.098436 where: bonds (distance) C4'-P energy: -100.916 bonds (distance) P-C4' energy: -82.645 flat angles C4'-P-C4' energy: -92.893 flat angles P-C4'-P energy: -56.538 tors. eta vs tors. theta energy: -46.107 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: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -519.266412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.266412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.266412 (E_RNA) where: Base-Base interactions energy: -218.091 where: short stacking energy: -141.191 Base-Backbone interact. energy: 3.199 local terms energy: -304.374838 where: bonds (distance) C4'-P energy: -88.689 bonds (distance) P-C4' energy: -94.545 flat angles C4'-P-C4' energy: -88.380 flat angles P-C4'-P energy: -41.406 tors. eta vs tors. theta energy: 8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2119.274750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.274750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.274750 (E_RNA) where: Base-Base interactions energy: -1464.732 where: short stacking energy: -633.374 Base-Backbone interact. energy: -1.619 local terms energy: -652.923372 where: bonds (distance) C4'-P energy: -113.691 bonds (distance) P-C4' energy: -123.840 flat angles C4'-P-C4' energy: -134.656 flat angles P-C4'-P energy: -97.160 tors. eta vs tors. theta energy: -183.576 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: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2038.096633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.096633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.096633 (E_RNA) where: Base-Base interactions energy: -1416.737 where: short stacking energy: -598.107 Base-Backbone interact. energy: 0.315 local terms energy: -621.675100 where: bonds (distance) C4'-P energy: -98.829 bonds (distance) P-C4' energy: -127.139 flat angles C4'-P-C4' energy: -133.679 flat angles P-C4'-P energy: -86.839 tors. eta vs tors. theta energy: -175.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1941.166552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.166552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.166552 (E_RNA) where: Base-Base interactions energy: -1353.003 where: short stacking energy: -591.129 Base-Backbone interact. energy: -1.544 local terms energy: -586.619277 where: bonds (distance) C4'-P energy: -109.437 bonds (distance) P-C4' energy: -107.864 flat angles C4'-P-C4' energy: -128.847 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: -179.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1878.634645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.634645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.634645 (E_RNA) where: Base-Base interactions energy: -1303.789 where: short stacking energy: -542.669 Base-Backbone interact. energy: 0.372 local terms energy: -575.218043 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -96.884 flat angles C4'-P-C4' energy: -119.722 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -173.802 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: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1720.305039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.305039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.305039 (E_RNA) where: Base-Base interactions energy: -1182.615 where: short stacking energy: -500.005 Base-Backbone interact. energy: -1.180 local terms energy: -536.510468 where: bonds (distance) C4'-P energy: -108.255 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -119.681 flat angles P-C4'-P energy: -65.428 tors. eta vs tors. theta energy: -139.836 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: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1582.111476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.111476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.111476 (E_RNA) where: Base-Base interactions energy: -1070.901 where: short stacking energy: -449.084 Base-Backbone interact. energy: 1.436 local terms energy: -512.645905 where: bonds (distance) C4'-P energy: -99.140 bonds (distance) P-C4' energy: -111.289 flat angles C4'-P-C4' energy: -120.667 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -122.881 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: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1356.573445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.573445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.573445 (E_RNA) where: Base-Base interactions energy: -899.391 where: short stacking energy: -392.263 Base-Backbone interact. energy: 0.183 local terms energy: -457.365703 where: bonds (distance) C4'-P energy: -99.529 bonds (distance) P-C4' energy: -106.945 flat angles C4'-P-C4' energy: -98.028 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -88.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1244.993957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.993957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.993957 (E_RNA) where: Base-Base interactions energy: -802.847 where: short stacking energy: -366.824 Base-Backbone interact. energy: 1.716 local terms energy: -443.863621 where: bonds (distance) C4'-P energy: -93.448 bonds (distance) P-C4' energy: -103.154 flat angles C4'-P-C4' energy: -100.684 flat angles P-C4'-P energy: -60.641 tors. eta vs tors. theta energy: -85.936 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: 9, replica: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -998.767515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.767515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.767515 (E_RNA) where: Base-Base interactions energy: -631.479 where: short stacking energy: -332.391 Base-Backbone interact. energy: -0.434 local terms energy: -366.854182 where: bonds (distance) C4'-P energy: -93.027 bonds (distance) P-C4' energy: -103.591 flat angles C4'-P-C4' energy: -88.032 flat angles P-C4'-P energy: -39.069 tors. eta vs tors. theta energy: -43.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -564.659314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.659314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.659314 (E_RNA) where: Base-Base interactions energy: -275.466 where: short stacking energy: -184.363 Base-Backbone interact. energy: 8.981 local terms energy: -298.174211 where: bonds (distance) C4'-P energy: -85.921 bonds (distance) P-C4' energy: -97.215 flat angles C4'-P-C4' energy: -77.062 flat angles P-C4'-P energy: -33.713 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2115.588524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.588524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.588524 (E_RNA) where: Base-Base interactions energy: -1479.473 where: short stacking energy: -605.334 Base-Backbone interact. energy: -2.302 local terms energy: -633.813670 where: bonds (distance) C4'-P energy: -120.123 bonds (distance) P-C4' energy: -104.612 flat angles C4'-P-C4' energy: -139.942 flat angles P-C4'-P energy: -89.681 tors. eta vs tors. theta energy: -179.456 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: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2041.630596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.630596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.630596 (E_RNA) where: Base-Base interactions energy: -1422.302 where: short stacking energy: -582.636 Base-Backbone interact. energy: 2.019 local terms energy: -621.347889 where: bonds (distance) C4'-P energy: -115.057 bonds (distance) P-C4' energy: -110.728 flat angles C4'-P-C4' energy: -138.172 flat angles P-C4'-P energy: -90.666 tors. eta vs tors. theta energy: -166.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1950.891511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.891511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.891511 (E_RNA) where: Base-Base interactions energy: -1345.399 where: short stacking energy: -569.193 Base-Backbone interact. energy: -1.702 local terms energy: -603.789943 where: bonds (distance) C4'-P energy: -112.168 bonds (distance) P-C4' energy: -110.005 flat angles C4'-P-C4' energy: -131.041 flat angles P-C4'-P energy: -79.312 tors. eta vs tors. theta energy: -171.264 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: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1853.185648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.185648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.185648 (E_RNA) where: Base-Base interactions energy: -1272.376 where: short stacking energy: -549.254 Base-Backbone interact. energy: -2.783 local terms energy: -578.027039 where: bonds (distance) C4'-P energy: -107.080 bonds (distance) P-C4' energy: -106.543 flat angles C4'-P-C4' energy: -118.493 flat angles P-C4'-P energy: -78.098 tors. eta vs tors. theta energy: -167.813 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: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1701.514134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.514134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.514134 (E_RNA) where: Base-Base interactions energy: -1176.785 where: short stacking energy: -495.747 Base-Backbone interact. energy: 1.039 local terms energy: -525.768867 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -108.971 flat angles C4'-P-C4' energy: -113.231 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -136.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1553.177716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.177716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.177716 (E_RNA) where: Base-Base interactions energy: -1021.499 where: short stacking energy: -438.715 Base-Backbone interact. energy: -1.819 local terms energy: -529.859118 where: bonds (distance) C4'-P energy: -101.578 bonds (distance) P-C4' energy: -113.436 flat angles C4'-P-C4' energy: -113.393 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -124.094 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: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1430.421622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.421622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.421622 (E_RNA) where: Base-Base interactions energy: -961.280 where: short stacking energy: -400.271 Base-Backbone interact. energy: 0.868 local terms energy: -470.009885 where: bonds (distance) C4'-P energy: -103.328 bonds (distance) P-C4' energy: -102.437 flat angles C4'-P-C4' energy: -93.382 flat angles P-C4'-P energy: -56.962 tors. eta vs tors. theta energy: -113.900 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: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1235.727157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.727157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.727157 (E_RNA) where: Base-Base interactions energy: -769.006 where: short stacking energy: -363.512 Base-Backbone interact. energy: 0.638 local terms energy: -467.359334 where: bonds (distance) C4'-P energy: -100.825 bonds (distance) P-C4' energy: -95.534 flat angles C4'-P-C4' energy: -115.864 flat angles P-C4'-P energy: -79.665 tors. eta vs tors. theta energy: -75.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -957.542501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.542501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.542501 (E_RNA) where: Base-Base interactions energy: -583.357 where: short stacking energy: -264.321 Base-Backbone interact. energy: 3.233 local terms energy: -377.418252 where: bonds (distance) C4'-P energy: -88.182 bonds (distance) P-C4' energy: -92.403 flat angles C4'-P-C4' energy: -96.759 flat angles P-C4'-P energy: -58.775 tors. eta vs tors. theta energy: -41.300 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: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -529.341852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.341852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.341852 (E_RNA) where: Base-Base interactions energy: -219.922 where: short stacking energy: -156.227 Base-Backbone interact. energy: 1.795 local terms energy: -311.215016 where: bonds (distance) C4'-P energy: -96.400 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -88.529 flat angles P-C4'-P energy: -37.732 tors. eta vs tors. theta energy: 5.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2110.962056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.962056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.962056 (E_RNA) where: Base-Base interactions energy: -1460.477 where: short stacking energy: -611.871 Base-Backbone interact. energy: -2.710 local terms energy: -647.775092 where: bonds (distance) C4'-P energy: -112.685 bonds (distance) P-C4' energy: -118.568 flat angles C4'-P-C4' energy: -134.398 flat angles P-C4'-P energy: -97.375 tors. eta vs tors. theta energy: -184.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2051.393596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.393596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.393596 (E_RNA) where: Base-Base interactions energy: -1414.071 where: short stacking energy: -573.843 Base-Backbone interact. energy: -3.709 local terms energy: -633.613464 where: bonds (distance) C4'-P energy: -115.725 bonds (distance) P-C4' energy: -127.759 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -91.883 tors. eta vs tors. theta energy: -178.628 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: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1921.508111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.508111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.508111 (E_RNA) where: Base-Base interactions energy: -1320.983 where: short stacking energy: -569.246 Base-Backbone interact. energy: 0.443 local terms energy: -600.968444 where: bonds (distance) C4'-P energy: -106.232 bonds (distance) P-C4' energy: -130.172 flat angles C4'-P-C4' energy: -118.680 flat angles P-C4'-P energy: -80.067 tors. eta vs tors. theta energy: -165.817 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: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1894.850773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.850773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.850773 (E_RNA) where: Base-Base interactions energy: -1278.318 where: short stacking energy: -572.838 Base-Backbone interact. energy: -2.927 local terms energy: -613.605454 where: bonds (distance) C4'-P energy: -111.665 bonds (distance) P-C4' energy: -99.228 flat angles C4'-P-C4' energy: -129.251 flat angles P-C4'-P energy: -94.132 tors. eta vs tors. theta energy: -179.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1730.623280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.623280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.623280 (E_RNA) where: Base-Base interactions energy: -1179.225 where: short stacking energy: -478.088 Base-Backbone interact. energy: 1.526 local terms energy: -552.923506 where: bonds (distance) C4'-P energy: -112.440 bonds (distance) P-C4' energy: -118.699 flat angles C4'-P-C4' energy: -111.049 flat angles P-C4'-P energy: -76.803 tors. eta vs tors. theta energy: -133.933 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: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1534.203699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.203699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.203699 (E_RNA) where: Base-Base interactions energy: -1024.457 where: short stacking energy: -426.383 Base-Backbone interact. energy: 2.797 local terms energy: -512.544221 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -100.572 flat angles C4'-P-C4' energy: -123.332 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -120.120 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: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1437.281890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.281890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.281890 (E_RNA) where: Base-Base interactions energy: -975.824 where: short stacking energy: -392.411 Base-Backbone interact. energy: -1.546 local terms energy: -459.912388 where: bonds (distance) C4'-P energy: -93.719 bonds (distance) P-C4' energy: -102.224 flat angles C4'-P-C4' energy: -98.606 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -94.966 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: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1207.565494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.565494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.565494 (E_RNA) where: Base-Base interactions energy: -782.032 where: short stacking energy: -332.836 Base-Backbone interact. energy: -5.593 local terms energy: -419.940254 where: bonds (distance) C4'-P energy: -107.116 bonds (distance) P-C4' energy: -97.890 flat angles C4'-P-C4' energy: -104.592 flat angles P-C4'-P energy: -57.442 tors. eta vs tors. theta energy: -52.901 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: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -986.427236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.427236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.427236 (E_RNA) where: Base-Base interactions energy: -580.587 where: short stacking energy: -276.181 Base-Backbone interact. energy: 2.781 local terms energy: -408.621515 where: bonds (distance) C4'-P energy: -98.770 bonds (distance) P-C4' energy: -105.246 flat angles C4'-P-C4' energy: -95.554 flat angles P-C4'-P energy: -60.990 tors. eta vs tors. theta energy: -48.061 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: 424 Temperature: 1.350000 Total energy: -469.587450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.587450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.587450 (E_RNA) where: Base-Base interactions energy: -168.730 where: short stacking energy: -130.106 Base-Backbone interact. energy: 0.357 local terms energy: -301.214700 where: bonds (distance) C4'-P energy: -97.563 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -72.766 flat angles P-C4'-P energy: -56.576 tors. eta vs tors. theta energy: 22.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2098.530010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.530010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.530010 (E_RNA) where: Base-Base interactions energy: -1455.031 where: short stacking energy: -598.410 Base-Backbone interact. energy: -3.240 local terms energy: -640.258233 where: bonds (distance) C4'-P energy: -115.855 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -130.092 flat angles P-C4'-P energy: -92.723 tors. eta vs tors. theta energy: -182.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2049.935703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.935703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.935703 (E_RNA) where: Base-Base interactions energy: -1416.841 where: short stacking energy: -596.848 Base-Backbone interact. energy: -4.555 local terms energy: -628.538901 where: bonds (distance) C4'-P energy: -117.820 bonds (distance) P-C4' energy: -120.881 flat angles C4'-P-C4' energy: -131.095 flat angles P-C4'-P energy: -83.704 tors. eta vs tors. theta energy: -175.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1969.483095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.483095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.483095 (E_RNA) where: Base-Base interactions energy: -1353.717 where: short stacking energy: -543.475 Base-Backbone interact. energy: 0.594 local terms energy: -616.359379 where: bonds (distance) C4'-P energy: -114.276 bonds (distance) P-C4' energy: -120.369 flat angles C4'-P-C4' energy: -129.569 flat angles P-C4'-P energy: -74.393 tors. eta vs tors. theta energy: -177.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1856.906709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.906709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.906709 (E_RNA) where: Base-Base interactions energy: -1277.722 where: short stacking energy: -529.519 Base-Backbone interact. energy: -2.810 local terms energy: -576.374046 where: bonds (distance) C4'-P energy: -94.981 bonds (distance) P-C4' energy: -104.437 flat angles C4'-P-C4' energy: -126.953 flat angles P-C4'-P energy: -83.825 tors. eta vs tors. theta energy: -166.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1752.040244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.040244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.040244 (E_RNA) where: Base-Base interactions energy: -1179.927 where: short stacking energy: -517.424 Base-Backbone interact. energy: -0.800 local terms energy: -571.312956 where: bonds (distance) C4'-P energy: -110.532 bonds (distance) P-C4' energy: -106.771 flat angles C4'-P-C4' energy: -114.748 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -153.975 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: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1473.043477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.043477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.043477 (E_RNA) where: Base-Base interactions energy: -992.045 where: short stacking energy: -438.925 Base-Backbone interact. energy: -0.803 local terms energy: -480.195948 where: bonds (distance) C4'-P energy: -87.458 bonds (distance) P-C4' energy: -107.699 flat angles C4'-P-C4' energy: -99.909 flat angles P-C4'-P energy: -76.848 tors. eta vs tors. theta energy: -108.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1446.670802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.670802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.670802 (E_RNA) where: Base-Base interactions energy: -946.384 where: short stacking energy: -411.567 Base-Backbone interact. energy: -3.200 local terms energy: -497.086716 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -100.403 flat angles C4'-P-C4' energy: -111.995 flat angles P-C4'-P energy: -80.637 tors. eta vs tors. theta energy: -109.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1258.657337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.657337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.657337 (E_RNA) where: Base-Base interactions energy: -780.555 where: short stacking energy: -364.348 Base-Backbone interact. energy: -0.351 local terms energy: -477.750528 where: bonds (distance) C4'-P energy: -97.752 bonds (distance) P-C4' energy: -106.252 flat angles C4'-P-C4' energy: -118.942 flat angles P-C4'-P energy: -72.154 tors. eta vs tors. theta energy: -82.650 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: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -933.869264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.869264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.869264 (E_RNA) where: Base-Base interactions energy: -561.074 where: short stacking energy: -256.203 Base-Backbone interact. energy: 2.204 local terms energy: -374.998916 where: bonds (distance) C4'-P energy: -88.310 bonds (distance) P-C4' energy: -110.598 flat angles C4'-P-C4' energy: -91.097 flat angles P-C4'-P energy: -52.564 tors. eta vs tors. theta energy: -32.431 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -466.289464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.289464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.289464 (E_RNA) where: Base-Base interactions energy: -171.630 where: short stacking energy: -111.327 Base-Backbone interact. energy: -3.266 local terms energy: -291.393834 where: bonds (distance) C4'-P energy: -77.910 bonds (distance) P-C4' energy: -98.825 flat angles C4'-P-C4' energy: -84.228 flat angles P-C4'-P energy: -57.166 tors. eta vs tors. theta energy: 26.734 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: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2123.366882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.366882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.366882 (E_RNA) where: Base-Base interactions energy: -1464.448 where: short stacking energy: -597.829 Base-Backbone interact. energy: -1.409 local terms energy: -657.509352 where: bonds (distance) C4'-P energy: -130.494 bonds (distance) P-C4' energy: -117.274 flat angles C4'-P-C4' energy: -132.162 flat angles P-C4'-P energy: -100.748 tors. eta vs tors. theta energy: -176.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2045.871232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.871232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.871232 (E_RNA) where: Base-Base interactions energy: -1422.652 where: short stacking energy: -599.916 Base-Backbone interact. energy: -3.203 local terms energy: -620.017082 where: bonds (distance) C4'-P energy: -114.580 bonds (distance) P-C4' energy: -115.036 flat angles C4'-P-C4' energy: -129.373 flat angles P-C4'-P energy: -81.371 tors. eta vs tors. theta energy: -179.657 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: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1969.459252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.459252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.459252 (E_RNA) where: Base-Base interactions energy: -1376.624 where: short stacking energy: -580.277 Base-Backbone interact. energy: -2.371 local terms energy: -590.464599 where: bonds (distance) C4'-P energy: -99.109 bonds (distance) P-C4' energy: -108.796 flat angles C4'-P-C4' energy: -125.390 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -177.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1853.678780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.678780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.678780 (E_RNA) where: Base-Base interactions energy: -1256.286 where: short stacking energy: -541.304 Base-Backbone interact. energy: -0.246 local terms energy: -597.147025 where: bonds (distance) C4'-P energy: -117.456 bonds (distance) P-C4' energy: -107.068 flat angles C4'-P-C4' energy: -130.123 flat angles P-C4'-P energy: -83.001 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: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1688.733800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.733800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.733800 (E_RNA) where: Base-Base interactions energy: -1167.221 where: short stacking energy: -491.681 Base-Backbone interact. energy: 1.498 local terms energy: -523.010305 where: bonds (distance) C4'-P energy: -88.761 bonds (distance) P-C4' energy: -122.739 flat angles C4'-P-C4' energy: -115.126 flat angles P-C4'-P energy: -65.574 tors. eta vs tors. theta energy: -130.812 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: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1505.878641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.878641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.878641 (E_RNA) where: Base-Base interactions energy: -1015.072 where: short stacking energy: -437.363 Base-Backbone interact. energy: -3.157 local terms energy: -487.649126 where: bonds (distance) C4'-P energy: -81.540 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -123.296 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -106.620 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: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1438.247400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.247400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.247400 (E_RNA) where: Base-Base interactions energy: -950.535 where: short stacking energy: -410.036 Base-Backbone interact. energy: 0.629 local terms energy: -488.341708 where: bonds (distance) C4'-P energy: -103.667 bonds (distance) P-C4' energy: -93.888 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -73.950 tors. eta vs tors. theta energy: -103.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1266.911404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.911404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.911404 (E_RNA) where: Base-Base interactions energy: -853.899 where: short stacking energy: -392.593 Base-Backbone interact. energy: -0.510 local terms energy: -412.502491 where: bonds (distance) C4'-P energy: -76.070 bonds (distance) P-C4' energy: -106.485 flat angles C4'-P-C4' energy: -93.734 flat angles P-C4'-P energy: -56.593 tors. eta vs tors. theta energy: -79.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -918.884724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.884724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.884724 (E_RNA) where: Base-Base interactions energy: -558.553 where: short stacking energy: -248.462 Base-Backbone interact. energy: 3.423 local terms energy: -363.754943 where: bonds (distance) C4'-P energy: -93.734 bonds (distance) P-C4' energy: -103.656 flat angles C4'-P-C4' energy: -84.170 flat angles P-C4'-P energy: -56.749 tors. eta vs tors. theta energy: -25.445 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: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -445.176815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.176815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.176815 (E_RNA) where: Base-Base interactions energy: -162.068 where: short stacking energy: -96.416 Base-Backbone interact. energy: -1.275 local terms energy: -281.834233 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -108.825 flat angles C4'-P-C4' energy: -84.831 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: 42.629 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: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2112.459746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.459746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.459746 (E_RNA) where: Base-Base interactions energy: -1459.294 where: short stacking energy: -609.618 Base-Backbone interact. energy: -2.872 local terms energy: -650.294221 where: bonds (distance) C4'-P energy: -119.114 bonds (distance) P-C4' energy: -122.599 flat angles C4'-P-C4' energy: -144.658 flat angles P-C4'-P energy: -88.963 tors. eta vs tors. theta energy: -174.960 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: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2035.412961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.412961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.412961 (E_RNA) where: Base-Base interactions energy: -1411.069 where: short stacking energy: -587.928 Base-Backbone interact. energy: 2.780 local terms energy: -627.123960 where: bonds (distance) C4'-P energy: -100.858 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -141.519 flat angles P-C4'-P energy: -75.851 tors. eta vs tors. theta energy: -183.744 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: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1949.227888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.227888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.227888 (E_RNA) where: Base-Base interactions energy: -1350.886 where: short stacking energy: -570.978 Base-Backbone interact. energy: 1.063 local terms energy: -599.404210 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -114.295 flat angles C4'-P-C4' energy: -130.520 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -170.598 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: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1882.837404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.837404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.837404 (E_RNA) where: Base-Base interactions energy: -1280.732 where: short stacking energy: -540.742 Base-Backbone interact. energy: -3.471 local terms energy: -598.634120 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -109.554 flat angles C4'-P-C4' energy: -124.736 flat angles P-C4'-P energy: -85.476 tors. eta vs tors. theta energy: -169.080 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1646.506684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.506684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.506684 (E_RNA) where: Base-Base interactions energy: -1125.931 where: short stacking energy: -449.905 Base-Backbone interact. energy: -2.132 local terms energy: -518.444271 where: bonds (distance) C4'-P energy: -106.044 bonds (distance) P-C4' energy: -105.125 flat angles C4'-P-C4' energy: -119.916 flat angles P-C4'-P energy: -63.467 tors. eta vs tors. theta energy: -123.891 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: 427 Temperature: 1.150000 Total energy: -1570.636644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.636644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.636644 (E_RNA) where: Base-Base interactions energy: -1052.862 where: short stacking energy: -451.657 Base-Backbone interact. energy: -1.243 local terms energy: -516.532021 where: bonds (distance) C4'-P energy: -92.720 bonds (distance) P-C4' energy: -112.576 flat angles C4'-P-C4' energy: -109.214 flat angles P-C4'-P energy: -76.887 tors. eta vs tors. theta energy: -125.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1447.355077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.355077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.355077 (E_RNA) where: Base-Base interactions energy: -969.984 where: short stacking energy: -445.605 Base-Backbone interact. energy: 0.599 local terms energy: -477.969808 where: bonds (distance) C4'-P energy: -86.128 bonds (distance) P-C4' energy: -90.880 flat angles C4'-P-C4' energy: -108.260 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -120.299 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: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1307.057892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.057892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.057892 (E_RNA) where: Base-Base interactions energy: -824.287 where: short stacking energy: -381.130 Base-Backbone interact. energy: -2.138 local terms energy: -480.632607 where: bonds (distance) C4'-P energy: -76.066 bonds (distance) P-C4' energy: -121.054 flat angles C4'-P-C4' energy: -121.300 flat angles P-C4'-P energy: -73.702 tors. eta vs tors. theta energy: -88.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -942.525811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.525811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.525811 (E_RNA) where: Base-Base interactions energy: -573.985 where: short stacking energy: -259.512 Base-Backbone interact. energy: 3.164 local terms energy: -371.705580 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -88.743 flat angles C4'-P-C4' energy: -84.752 flat angles P-C4'-P energy: -65.364 tors. eta vs tors. theta energy: -44.664 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: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -531.137476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.137476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.137476 (E_RNA) where: Base-Base interactions energy: -233.972 where: short stacking energy: -124.018 Base-Backbone interact. energy: 2.097 local terms energy: -299.262578 where: bonds (distance) C4'-P energy: -90.948 bonds (distance) P-C4' energy: -109.503 flat angles C4'-P-C4' energy: -75.160 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: 25.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2138.013830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.013830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.013830 (E_RNA) where: Base-Base interactions energy: -1481.237 where: short stacking energy: -608.932 Base-Backbone interact. energy: -1.697 local terms energy: -655.079953 where: bonds (distance) C4'-P energy: -124.137 bonds (distance) P-C4' energy: -124.869 flat angles C4'-P-C4' energy: -147.262 flat angles P-C4'-P energy: -87.092 tors. eta vs tors. theta energy: -171.720 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: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2039.101306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.101306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.101306 (E_RNA) where: Base-Base interactions energy: -1403.053 where: short stacking energy: -572.091 Base-Backbone interact. energy: -3.737 local terms energy: -632.311592 where: bonds (distance) C4'-P energy: -112.693 bonds (distance) P-C4' energy: -120.950 flat angles C4'-P-C4' energy: -134.334 flat angles P-C4'-P energy: -86.898 tors. eta vs tors. theta energy: -177.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1964.828026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.828026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.828026 (E_RNA) where: Base-Base interactions energy: -1349.650 where: short stacking energy: -577.164 Base-Backbone interact. energy: 0.122 local terms energy: -615.299422 where: bonds (distance) C4'-P energy: -113.968 bonds (distance) P-C4' energy: -109.329 flat angles C4'-P-C4' energy: -129.881 flat angles P-C4'-P energy: -83.940 tors. eta vs tors. theta energy: -178.181 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: 428 Temperature: 1.050000 Total energy: -1865.866112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.866112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.866112 (E_RNA) where: Base-Base interactions energy: -1260.162 where: short stacking energy: -569.698 Base-Backbone interact. energy: 1.842 local terms energy: -607.546345 where: bonds (distance) C4'-P energy: -109.594 bonds (distance) P-C4' energy: -109.829 flat angles C4'-P-C4' energy: -134.509 flat angles P-C4'-P energy: -79.930 tors. eta vs tors. theta energy: -173.683 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1668.326753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.326753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.326753 (E_RNA) where: Base-Base interactions energy: -1134.689 where: short stacking energy: -478.626 Base-Backbone interact. energy: 1.646 local terms energy: -535.283857 where: bonds (distance) C4'-P energy: -110.491 bonds (distance) P-C4' energy: -101.209 flat angles C4'-P-C4' energy: -117.622 flat angles P-C4'-P energy: -69.721 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: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1584.565286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.565286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.565286 (E_RNA) where: Base-Base interactions energy: -1061.395 where: short stacking energy: -453.893 Base-Backbone interact. energy: -3.197 local terms energy: -519.972976 where: bonds (distance) C4'-P energy: -88.747 bonds (distance) P-C4' energy: -120.650 flat angles C4'-P-C4' energy: -125.427 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -116.091 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: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1392.946941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.946941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.946941 (E_RNA) where: Base-Base interactions energy: -913.467 where: short stacking energy: -397.740 Base-Backbone interact. energy: -1.467 local terms energy: -478.012851 where: bonds (distance) C4'-P energy: -108.447 bonds (distance) P-C4' energy: -100.016 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -66.832 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: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1286.088801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.088801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.088801 (E_RNA) where: Base-Base interactions energy: -840.630 where: short stacking energy: -352.999 Base-Backbone interact. energy: -2.582 local terms energy: -442.877044 where: bonds (distance) C4'-P energy: -95.825 bonds (distance) P-C4' energy: -89.841 flat angles C4'-P-C4' energy: -102.696 flat angles P-C4'-P energy: -70.330 tors. eta vs tors. theta energy: -84.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -925.476073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.476073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.476073 (E_RNA) where: Base-Base interactions energy: -534.375 where: short stacking energy: -259.692 Base-Backbone interact. energy: 4.753 local terms energy: -395.854062 where: bonds (distance) C4'-P energy: -97.777 bonds (distance) P-C4' energy: -94.448 flat angles C4'-P-C4' energy: -113.796 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: -39.099 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: 428 Temperature: 1.350000 Total energy: -549.470533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.470533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.470533 (E_RNA) where: Base-Base interactions energy: -243.130 where: short stacking energy: -149.634 Base-Backbone interact. energy: 1.091 local terms energy: -307.431456 where: bonds (distance) C4'-P energy: -89.589 bonds (distance) P-C4' energy: -102.916 flat angles C4'-P-C4' energy: -88.432 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: 20.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2104.300176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.300176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.300176 (E_RNA) where: Base-Base interactions energy: -1449.018 where: short stacking energy: -608.853 Base-Backbone interact. energy: -2.297 local terms energy: -652.984921 where: bonds (distance) C4'-P energy: -122.178 bonds (distance) P-C4' energy: -119.546 flat angles C4'-P-C4' energy: -126.700 flat angles P-C4'-P energy: -99.541 tors. eta vs tors. theta energy: -185.020 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: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2045.942042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.942042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.942042 (E_RNA) where: Base-Base interactions energy: -1407.576 where: short stacking energy: -588.128 Base-Backbone interact. energy: 1.657 local terms energy: -640.023347 where: bonds (distance) C4'-P energy: -117.612 bonds (distance) P-C4' energy: -115.683 flat angles C4'-P-C4' energy: -127.728 flat angles P-C4'-P energy: -91.826 tors. eta vs tors. theta energy: -187.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1975.979452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.979452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.979452 (E_RNA) where: Base-Base interactions energy: -1353.696 where: short stacking energy: -587.022 Base-Backbone interact. energy: 0.741 local terms energy: -623.024459 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -115.060 flat angles C4'-P-C4' energy: -134.776 flat angles P-C4'-P energy: -86.880 tors. eta vs tors. theta energy: -171.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1810.907680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.907680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.907680 (E_RNA) where: Base-Base interactions energy: -1235.715 where: short stacking energy: -541.126 Base-Backbone interact. energy: 2.556 local terms energy: -577.749104 where: bonds (distance) C4'-P energy: -104.821 bonds (distance) P-C4' energy: -116.050 flat angles C4'-P-C4' energy: -125.107 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -160.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1708.072241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.072241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.072241 (E_RNA) where: Base-Base interactions energy: -1184.956 where: short stacking energy: -483.421 Base-Backbone interact. energy: -2.503 local terms energy: -520.613437 where: bonds (distance) C4'-P energy: -94.325 bonds (distance) P-C4' energy: -89.591 flat angles C4'-P-C4' energy: -118.722 flat angles P-C4'-P energy: -84.901 tors. eta vs tors. theta energy: -133.075 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: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1599.161147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.161147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.161147 (E_RNA) where: Base-Base interactions energy: -1084.525 where: short stacking energy: -477.303 Base-Backbone interact. energy: 1.578 local terms energy: -516.214160 where: bonds (distance) C4'-P energy: -97.310 bonds (distance) P-C4' energy: -99.444 flat angles C4'-P-C4' energy: -118.112 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -131.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1482.814541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.814541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.814541 (E_RNA) where: Base-Base interactions energy: -993.008 where: short stacking energy: -442.027 Base-Backbone interact. energy: -1.509 local terms energy: -488.298048 where: bonds (distance) C4'-P energy: -109.353 bonds (distance) P-C4' energy: -84.085 flat angles C4'-P-C4' energy: -110.544 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -113.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1231.808333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.808333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.808333 (E_RNA) where: Base-Base interactions energy: -804.159 where: short stacking energy: -352.966 Base-Backbone interact. energy: 0.981 local terms energy: -428.630806 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -96.794 flat angles C4'-P-C4' energy: -117.553 flat angles P-C4'-P energy: -62.681 tors. eta vs tors. theta energy: -79.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -917.443542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.443542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.443542 (E_RNA) where: Base-Base interactions energy: -542.731 where: short stacking energy: -249.215 Base-Backbone interact. energy: 0.175 local terms energy: -374.887819 where: bonds (distance) C4'-P energy: -103.281 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -90.506 flat angles P-C4'-P energy: -43.462 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: 429 Temperature: 1.350000 Total energy: -502.513316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.513316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.513316 (E_RNA) where: Base-Base interactions energy: -220.304 where: short stacking energy: -165.843 Base-Backbone interact. energy: -2.628 local terms energy: -279.581278 where: bonds (distance) C4'-P energy: -71.658 bonds (distance) P-C4' energy: -111.461 flat angles C4'-P-C4' energy: -77.595 flat angles P-C4'-P energy: -21.520 tors. eta vs tors. theta energy: 2.652 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: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2119.059629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.059629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.059629 (E_RNA) where: Base-Base interactions energy: -1476.105 where: short stacking energy: -618.885 Base-Backbone interact. energy: -1.318 local terms energy: -641.637459 where: bonds (distance) C4'-P energy: -118.780 bonds (distance) P-C4' energy: -125.539 flat angles C4'-P-C4' energy: -129.921 flat angles P-C4'-P energy: -90.526 tors. eta vs tors. theta energy: -176.872 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: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2014.724745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.724745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.724745 (E_RNA) where: Base-Base interactions energy: -1400.647 where: short stacking energy: -576.927 Base-Backbone interact. energy: -3.829 local terms energy: -610.249092 where: bonds (distance) C4'-P energy: -119.144 bonds (distance) P-C4' energy: -108.279 flat angles C4'-P-C4' energy: -129.552 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -174.502 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: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1956.204186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.204186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.204186 (E_RNA) where: Base-Base interactions energy: -1362.966 where: short stacking energy: -565.371 Base-Backbone interact. energy: -1.635 local terms energy: -591.602368 where: bonds (distance) C4'-P energy: -118.169 bonds (distance) P-C4' energy: -101.385 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -75.554 tors. eta vs tors. theta energy: -163.545 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: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1794.842102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.842102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.842102 (E_RNA) where: Base-Base interactions energy: -1230.404 where: short stacking energy: -542.036 Base-Backbone interact. energy: -2.106 local terms energy: -562.331896 where: bonds (distance) C4'-P energy: -80.989 bonds (distance) P-C4' energy: -121.552 flat angles C4'-P-C4' energy: -116.795 flat angles P-C4'-P energy: -87.887 tors. eta vs tors. theta energy: -155.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1690.910892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.910892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.910892 (E_RNA) where: Base-Base interactions energy: -1159.284 where: short stacking energy: -489.348 Base-Backbone interact. energy: 0.656 local terms energy: -532.283462 where: bonds (distance) C4'-P energy: -108.744 bonds (distance) P-C4' energy: -113.440 flat angles C4'-P-C4' energy: -112.582 flat angles P-C4'-P energy: -71.116 tors. eta vs tors. theta energy: -126.401 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: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1574.760219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.760219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.760219 (E_RNA) where: Base-Base interactions energy: -1052.429 where: short stacking energy: -450.371 Base-Backbone interact. energy: 0.896 local terms energy: -523.228108 where: bonds (distance) C4'-P energy: -104.293 bonds (distance) P-C4' energy: -107.309 flat angles C4'-P-C4' energy: -120.003 flat angles P-C4'-P energy: -68.382 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: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1498.618399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.618399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.618399 (E_RNA) where: Base-Base interactions energy: -993.384 where: short stacking energy: -414.812 Base-Backbone interact. energy: 0.576 local terms energy: -505.810889 where: bonds (distance) C4'-P energy: -90.758 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -117.130 flat angles P-C4'-P energy: -68.597 tors. eta vs tors. theta energy: -112.995 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: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1222.610131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.610131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.610131 (E_RNA) where: Base-Base interactions energy: -771.341 where: short stacking energy: -348.658 Base-Backbone interact. energy: -1.297 local terms energy: -449.972581 where: bonds (distance) C4'-P energy: -103.349 bonds (distance) P-C4' energy: -95.786 flat angles C4'-P-C4' energy: -106.778 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -76.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -938.325516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.325516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.325516 (E_RNA) where: Base-Base interactions energy: -524.043 where: short stacking energy: -246.373 Base-Backbone interact. energy: 5.385 local terms energy: -419.667090 where: bonds (distance) C4'-P energy: -90.540 bonds (distance) P-C4' energy: -115.304 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: -49.481 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: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -505.351237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.351237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.351237 (E_RNA) where: Base-Base interactions energy: -185.326 where: short stacking energy: -140.549 Base-Backbone interact. energy: 3.192 local terms energy: -323.217147 where: bonds (distance) C4'-P energy: -100.888 bonds (distance) P-C4' energy: -106.639 flat angles C4'-P-C4' energy: -79.723 flat angles P-C4'-P energy: -57.774 tors. eta vs tors. theta energy: 21.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2130.038229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.038229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.038229 (E_RNA) where: Base-Base interactions energy: -1462.980 where: short stacking energy: -605.366 Base-Backbone interact. energy: -4.546 local terms energy: -662.512320 where: bonds (distance) C4'-P energy: -117.787 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -133.832 flat angles P-C4'-P energy: -106.953 tors. eta vs tors. theta energy: -180.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2047.588306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.588306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.588306 (E_RNA) where: Base-Base interactions energy: -1419.845 where: short stacking energy: -585.858 Base-Backbone interact. energy: -2.929 local terms energy: -624.814228 where: bonds (distance) C4'-P energy: -114.356 bonds (distance) P-C4' energy: -119.283 flat angles C4'-P-C4' energy: -132.443 flat angles P-C4'-P energy: -89.365 tors. eta vs tors. theta energy: -169.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1916.828852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.828852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.828852 (E_RNA) where: Base-Base interactions energy: -1311.687 where: short stacking energy: -556.054 Base-Backbone interact. energy: -1.848 local terms energy: -603.294030 where: bonds (distance) C4'-P energy: -116.225 bonds (distance) P-C4' energy: -116.769 flat angles C4'-P-C4' energy: -135.044 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -159.876 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: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1856.677857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.677857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.677857 (E_RNA) where: Base-Base interactions energy: -1271.309 where: short stacking energy: -536.582 Base-Backbone interact. energy: 0.792 local terms energy: -586.160462 where: bonds (distance) C4'-P energy: -119.891 bonds (distance) P-C4' energy: -104.367 flat angles C4'-P-C4' energy: -121.228 flat angles P-C4'-P energy: -86.660 tors. eta vs tors. theta energy: -154.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1698.925872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.925872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.925872 (E_RNA) where: Base-Base interactions energy: -1171.256 where: short stacking energy: -506.205 Base-Backbone interact. energy: -0.963 local terms energy: -526.707317 where: bonds (distance) C4'-P energy: -98.889 bonds (distance) P-C4' energy: -89.572 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -82.027 tors. eta vs tors. theta energy: -141.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1534.786253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.786253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.786253 (E_RNA) where: Base-Base interactions energy: -1033.944 where: short stacking energy: -447.557 Base-Backbone interact. energy: 4.374 local terms energy: -505.215627 where: bonds (distance) C4'-P energy: -96.678 bonds (distance) P-C4' energy: -97.431 flat angles C4'-P-C4' energy: -128.266 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -114.549 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: 431 Temperature: 1.200000 Total energy: -1476.060956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.060956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.060956 (E_RNA) where: Base-Base interactions energy: -981.418 where: short stacking energy: -423.763 Base-Backbone interact. energy: -2.402 local terms energy: -492.240987 where: bonds (distance) C4'-P energy: -100.392 bonds (distance) P-C4' energy: -102.718 flat angles C4'-P-C4' energy: -101.597 flat angles P-C4'-P energy: -74.970 tors. eta vs tors. theta energy: -112.564 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: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1216.551415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.551415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.551415 (E_RNA) where: Base-Base interactions energy: -783.317 where: short stacking energy: -346.272 Base-Backbone interact. energy: 7.372 local terms energy: -440.606432 where: bonds (distance) C4'-P energy: -96.116 bonds (distance) P-C4' energy: -109.583 flat angles C4'-P-C4' energy: -105.034 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -72.275 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: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1010.681851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.681851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.681851 (E_RNA) where: Base-Base interactions energy: -593.754 where: short stacking energy: -280.133 Base-Backbone interact. energy: -1.570 local terms energy: -415.357033 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -84.389 flat angles C4'-P-C4' energy: -99.561 flat angles P-C4'-P energy: -67.142 tors. eta vs tors. theta energy: -60.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -497.626072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.626072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.626072 (E_RNA) where: Base-Base interactions energy: -188.544 where: short stacking energy: -147.027 Base-Backbone interact. energy: 0.405 local terms energy: -309.487577 where: bonds (distance) C4'-P energy: -84.676 bonds (distance) P-C4' energy: -110.091 flat angles C4'-P-C4' energy: -84.233 flat angles P-C4'-P energy: -32.286 tors. eta vs tors. theta energy: 1.798 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: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2131.130328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.130328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.130328 (E_RNA) where: Base-Base interactions energy: -1479.838 where: short stacking energy: -633.263 Base-Backbone interact. energy: -4.187 local terms energy: -647.104700 where: bonds (distance) C4'-P energy: -127.446 bonds (distance) P-C4' energy: -122.975 flat angles C4'-P-C4' energy: -136.425 flat angles P-C4'-P energy: -83.321 tors. eta vs tors. theta energy: -176.938 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: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2046.530325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.530325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.530325 (E_RNA) where: Base-Base interactions energy: -1417.891 where: short stacking energy: -577.671 Base-Backbone interact. energy: -5.912 local terms energy: -622.726989 where: bonds (distance) C4'-P energy: -109.570 bonds (distance) P-C4' energy: -114.999 flat angles C4'-P-C4' energy: -133.288 flat angles P-C4'-P energy: -84.044 tors. eta vs tors. theta energy: -180.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1889.007027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.007027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.007027 (E_RNA) where: Base-Base interactions energy: -1302.539 where: short stacking energy: -529.912 Base-Backbone interact. energy: -0.704 local terms energy: -585.763835 where: bonds (distance) C4'-P energy: -104.190 bonds (distance) P-C4' energy: -116.697 flat angles C4'-P-C4' energy: -133.364 flat angles P-C4'-P energy: -87.968 tors. eta vs tors. theta energy: -143.545 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: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1907.034341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.034341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.034341 (E_RNA) where: Base-Base interactions energy: -1292.116 where: short stacking energy: -555.775 Base-Backbone interact. energy: -2.267 local terms energy: -612.650921 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -107.414 flat angles C4'-P-C4' energy: -137.742 flat angles P-C4'-P energy: -84.016 tors. eta vs tors. theta energy: -169.619 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: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1694.829903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.829903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.829903 (E_RNA) where: Base-Base interactions energy: -1152.252 where: short stacking energy: -504.141 Base-Backbone interact. energy: -3.043 local terms energy: -539.534887 where: bonds (distance) C4'-P energy: -87.172 bonds (distance) P-C4' energy: -111.447 flat angles C4'-P-C4' energy: -124.269 flat angles P-C4'-P energy: -78.984 tors. eta vs tors. theta energy: -137.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1519.817001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.817001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.817001 (E_RNA) where: Base-Base interactions energy: -1021.248 where: short stacking energy: -432.165 Base-Backbone interact. energy: -0.035 local terms energy: -498.533444 where: bonds (distance) C4'-P energy: -95.706 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -111.594 flat angles P-C4'-P energy: -83.231 tors. eta vs tors. theta energy: -95.464 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: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1445.908274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.908274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.908274 (E_RNA) where: Base-Base interactions energy: -974.404 where: short stacking energy: -390.250 Base-Backbone interact. energy: -2.479 local terms energy: -469.025563 where: bonds (distance) C4'-P energy: -103.276 bonds (distance) P-C4' energy: -107.303 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -67.355 tors. eta vs tors. theta energy: -91.343 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: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1236.753294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.753294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.753294 (E_RNA) where: Base-Base interactions energy: -784.164 where: short stacking energy: -391.987 Base-Backbone interact. energy: -1.361 local terms energy: -451.228352 where: bonds (distance) C4'-P energy: -103.863 bonds (distance) P-C4' energy: -91.776 flat angles C4'-P-C4' energy: -98.687 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -90.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -997.804171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.804171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.804171 (E_RNA) where: Base-Base interactions energy: -595.688 where: short stacking energy: -265.226 Base-Backbone interact. energy: 0.828 local terms energy: -402.944816 where: bonds (distance) C4'-P energy: -99.383 bonds (distance) P-C4' energy: -114.193 flat angles C4'-P-C4' energy: -88.452 flat angles P-C4'-P energy: -61.232 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: 432 Temperature: 1.350000 Total energy: -490.477365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.477365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.477365 (E_RNA) where: Base-Base interactions energy: -191.983 where: short stacking energy: -134.194 Base-Backbone interact. energy: -1.596 local terms energy: -296.897789 where: bonds (distance) C4'-P energy: -91.266 bonds (distance) P-C4' energy: -95.257 flat angles C4'-P-C4' energy: -90.771 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: 25.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2111.839238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.839238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.839238 (E_RNA) where: Base-Base interactions energy: -1485.656 where: short stacking energy: -613.823 Base-Backbone interact. energy: -2.945 local terms energy: -623.238873 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -141.020 flat angles P-C4'-P energy: -93.647 tors. eta vs tors. theta energy: -171.145 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: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2054.080451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.080451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.080451 (E_RNA) where: Base-Base interactions energy: -1435.310 where: short stacking energy: -586.417 Base-Backbone interact. energy: -1.837 local terms energy: -616.933098 where: bonds (distance) C4'-P energy: -116.196 bonds (distance) P-C4' energy: -119.301 flat angles C4'-P-C4' energy: -121.863 flat angles P-C4'-P energy: -82.720 tors. eta vs tors. theta energy: -176.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1931.287994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.287994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.287994 (E_RNA) where: Base-Base interactions energy: -1322.938 where: short stacking energy: -563.426 Base-Backbone interact. energy: 2.561 local terms energy: -610.911014 where: bonds (distance) C4'-P energy: -96.241 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -137.898 flat angles P-C4'-P energy: -92.892 tors. eta vs tors. theta energy: -166.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1831.777788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.777788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.777788 (E_RNA) where: Base-Base interactions energy: -1261.151 where: short stacking energy: -528.605 Base-Backbone interact. energy: -4.950 local terms energy: -565.676963 where: bonds (distance) C4'-P energy: -92.993 bonds (distance) P-C4' energy: -109.509 flat angles C4'-P-C4' energy: -121.441 flat angles P-C4'-P energy: -86.302 tors. eta vs tors. theta energy: -155.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1664.891521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.891521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.891521 (E_RNA) where: Base-Base interactions energy: -1124.656 where: short stacking energy: -455.907 Base-Backbone interact. energy: -0.261 local terms energy: -539.974617 where: bonds (distance) C4'-P energy: -105.342 bonds (distance) P-C4' energy: -113.398 flat angles C4'-P-C4' energy: -106.793 flat angles P-C4'-P energy: -84.786 tors. eta vs tors. theta energy: -129.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1577.854245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.854245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.854245 (E_RNA) where: Base-Base interactions energy: -1066.133 where: short stacking energy: -483.379 Base-Backbone interact. energy: 4.871 local terms energy: -516.592365 where: bonds (distance) C4'-P energy: -101.592 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -107.641 flat angles P-C4'-P energy: -75.527 tors. eta vs tors. theta energy: -120.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1479.237877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.237877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.237877 (E_RNA) where: Base-Base interactions energy: -1003.476 where: short stacking energy: -435.831 Base-Backbone interact. energy: -1.146 local terms energy: -474.615767 where: bonds (distance) C4'-P energy: -79.333 bonds (distance) P-C4' energy: -88.151 flat angles C4'-P-C4' energy: -119.079 flat angles P-C4'-P energy: -89.723 tors. eta vs tors. theta energy: -98.329 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: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1199.858121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.858121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.858121 (E_RNA) where: Base-Base interactions energy: -763.310 where: short stacking energy: -345.668 Base-Backbone interact. energy: -2.191 local terms energy: -434.357338 where: bonds (distance) C4'-P energy: -87.073 bonds (distance) P-C4' energy: -98.048 flat angles C4'-P-C4' energy: -109.573 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -80.615 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: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -997.344481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.344481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.344481 (E_RNA) where: Base-Base interactions energy: -578.468 where: short stacking energy: -280.139 Base-Backbone interact. energy: -1.859 local terms energy: -417.018078 where: bonds (distance) C4'-P energy: -86.796 bonds (distance) P-C4' energy: -123.988 flat angles C4'-P-C4' energy: -96.096 flat angles P-C4'-P energy: -64.864 tors. eta vs tors. theta energy: -45.275 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: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -511.809386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.809386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.809386 (E_RNA) where: Base-Base interactions energy: -211.133 where: short stacking energy: -167.226 Base-Backbone interact. energy: 10.220 local terms energy: -310.896706 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -95.230 flat angles C4'-P-C4' energy: -89.205 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: 6.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2113.933904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.933904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.933904 (E_RNA) where: Base-Base interactions energy: -1483.844 where: short stacking energy: -634.941 Base-Backbone interact. energy: 1.331 local terms energy: -631.420667 where: bonds (distance) C4'-P energy: -120.546 bonds (distance) P-C4' energy: -109.239 flat angles C4'-P-C4' energy: -134.116 flat angles P-C4'-P energy: -89.455 tors. eta vs tors. theta energy: -178.065 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: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2045.113448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.113448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.113448 (E_RNA) where: Base-Base interactions energy: -1436.693 where: short stacking energy: -584.515 Base-Backbone interact. energy: -2.051 local terms energy: -606.369522 where: bonds (distance) C4'-P energy: -115.876 bonds (distance) P-C4' energy: -115.620 flat angles C4'-P-C4' energy: -122.822 flat angles P-C4'-P energy: -88.574 tors. eta vs tors. theta energy: -163.478 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: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1919.720729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.720729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.720729 (E_RNA) where: Base-Base interactions energy: -1305.342 where: short stacking energy: -553.093 Base-Backbone interact. energy: -0.823 local terms energy: -613.555761 where: bonds (distance) C4'-P energy: -101.497 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -140.081 flat angles P-C4'-P energy: -86.762 tors. eta vs tors. theta energy: -163.411 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: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1814.877213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.877213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.877213 (E_RNA) where: Base-Base interactions energy: -1258.161 where: short stacking energy: -513.264 Base-Backbone interact. energy: -1.130 local terms energy: -555.586216 where: bonds (distance) C4'-P energy: -96.438 bonds (distance) P-C4' energy: -112.953 flat angles C4'-P-C4' energy: -126.602 flat angles P-C4'-P energy: -72.101 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: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1661.983927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.983927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.983927 (E_RNA) where: Base-Base interactions energy: -1098.559 where: short stacking energy: -462.797 Base-Backbone interact. energy: -3.063 local terms energy: -560.361472 where: bonds (distance) C4'-P energy: -112.875 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -83.611 tors. eta vs tors. theta energy: -126.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1619.724900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.724900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.724900 (E_RNA) where: Base-Base interactions energy: -1075.190 where: short stacking energy: -481.878 Base-Backbone interact. energy: -0.958 local terms energy: -543.577255 where: bonds (distance) C4'-P energy: -95.357 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -117.845 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -147.615 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: 434 Temperature: 1.200000 Total energy: -1447.819419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.819419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.819419 (E_RNA) where: Base-Base interactions energy: -983.334 where: short stacking energy: -403.259 Base-Backbone interact. energy: -2.039 local terms energy: -462.446398 where: bonds (distance) C4'-P energy: -101.734 bonds (distance) P-C4' energy: -81.624 flat angles C4'-P-C4' energy: -117.257 flat angles P-C4'-P energy: -71.081 tors. eta vs tors. theta energy: -90.750 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: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1199.066875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.066875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.066875 (E_RNA) where: Base-Base interactions energy: -768.907 where: short stacking energy: -348.811 Base-Backbone interact. energy: -0.661 local terms energy: -429.499116 where: bonds (distance) C4'-P energy: -84.042 bonds (distance) P-C4' energy: -96.673 flat angles C4'-P-C4' energy: -112.330 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -70.530 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: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -963.757020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.757020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.757020 (E_RNA) where: Base-Base interactions energy: -563.694 where: short stacking energy: -262.507 Base-Backbone interact. energy: -0.970 local terms energy: -399.092566 where: bonds (distance) C4'-P energy: -90.153 bonds (distance) P-C4' energy: -107.695 flat angles C4'-P-C4' energy: -103.238 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -53.377 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: 434 Temperature: 1.350000 Total energy: -551.861659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.861659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.861659 (E_RNA) where: Base-Base interactions energy: -244.972 where: short stacking energy: -154.226 Base-Backbone interact. energy: 1.368 local terms energy: -308.257111 where: bonds (distance) C4'-P energy: -91.884 bonds (distance) P-C4' energy: -104.386 flat angles C4'-P-C4' energy: -83.717 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: 5.953 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: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2128.161745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.161745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.161745 (E_RNA) where: Base-Base interactions energy: -1458.746 where: short stacking energy: -619.813 Base-Backbone interact. energy: -3.529 local terms energy: -665.886903 where: bonds (distance) C4'-P energy: -127.959 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -131.625 flat angles P-C4'-P energy: -99.076 tors. eta vs tors. theta energy: -176.767 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: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2047.414453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.414453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.414453 (E_RNA) where: Base-Base interactions energy: -1415.466 where: short stacking energy: -577.830 Base-Backbone interact. energy: 1.688 local terms energy: -633.636150 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -122.236 flat angles C4'-P-C4' energy: -138.756 flat angles P-C4'-P energy: -85.550 tors. eta vs tors. theta energy: -174.077 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: 435 Temperature: 1.000000 Total energy: -1961.081477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.081477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.081477 (E_RNA) where: Base-Base interactions energy: -1338.540 where: short stacking energy: -538.545 Base-Backbone interact. energy: 0.373 local terms energy: -622.914998 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -117.999 flat angles C4'-P-C4' energy: -129.211 flat angles P-C4'-P energy: -90.251 tors. eta vs tors. theta energy: -158.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1832.529613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.529613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.529613 (E_RNA) where: Base-Base interactions energy: -1260.911 where: short stacking energy: -540.392 Base-Backbone interact. energy: -0.137 local terms energy: -571.482299 where: bonds (distance) C4'-P energy: -98.088 bonds (distance) P-C4' energy: -119.605 flat angles C4'-P-C4' energy: -117.333 flat angles P-C4'-P energy: -81.128 tors. eta vs tors. theta energy: -155.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1680.522347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.522347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.522347 (E_RNA) where: Base-Base interactions energy: -1139.459 where: short stacking energy: -477.514 Base-Backbone interact. energy: -0.986 local terms energy: -540.077116 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -112.496 flat angles C4'-P-C4' energy: -116.244 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -132.744 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: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1533.819372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.819372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.819372 (E_RNA) where: Base-Base interactions energy: -1019.692 where: short stacking energy: -458.197 Base-Backbone interact. energy: -2.082 local terms energy: -512.044576 where: bonds (distance) C4'-P energy: -104.954 bonds (distance) P-C4' energy: -107.730 flat angles C4'-P-C4' energy: -107.066 flat angles P-C4'-P energy: -74.310 tors. eta vs tors. theta energy: -117.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1499.159162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.159162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.159162 (E_RNA) where: Base-Base interactions energy: -993.649 where: short stacking energy: -421.869 Base-Backbone interact. energy: -2.065 local terms energy: -503.444954 where: bonds (distance) C4'-P energy: -116.376 bonds (distance) P-C4' energy: -112.596 flat angles C4'-P-C4' energy: -91.513 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -114.413 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: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1185.247563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.247563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.247563 (E_RNA) where: Base-Base interactions energy: -753.069 where: short stacking energy: -349.078 Base-Backbone interact. energy: -0.478 local terms energy: -431.701015 where: bonds (distance) C4'-P energy: -89.026 bonds (distance) P-C4' energy: -109.753 flat angles C4'-P-C4' energy: -95.947 flat angles P-C4'-P energy: -58.676 tors. eta vs tors. theta energy: -78.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -985.567500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.567500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.567500 (E_RNA) where: Base-Base interactions energy: -582.984 where: short stacking energy: -289.352 Base-Backbone interact. energy: 4.368 local terms energy: -406.951352 where: bonds (distance) C4'-P energy: -96.741 bonds (distance) P-C4' energy: -111.120 flat angles C4'-P-C4' energy: -94.911 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -47.597 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: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -519.952584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.952584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.952584 (E_RNA) where: Base-Base interactions energy: -246.305 where: short stacking energy: -167.231 Base-Backbone interact. energy: 8.074 local terms energy: -281.721823 where: bonds (distance) C4'-P energy: -99.690 bonds (distance) P-C4' energy: -100.572 flat angles C4'-P-C4' energy: -82.105 flat angles P-C4'-P energy: -27.227 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: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2127.863703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.863703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.863703 (E_RNA) where: Base-Base interactions energy: -1479.952 where: short stacking energy: -606.001 Base-Backbone interact. energy: -5.245 local terms energy: -642.666491 where: bonds (distance) C4'-P energy: -118.555 bonds (distance) P-C4' energy: -117.302 flat angles C4'-P-C4' energy: -135.434 flat angles P-C4'-P energy: -93.752 tors. eta vs tors. theta energy: -177.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2005.755580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.755580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.755580 (E_RNA) where: Base-Base interactions energy: -1372.307 where: short stacking energy: -559.246 Base-Backbone interact. energy: -4.693 local terms energy: -628.756227 where: bonds (distance) C4'-P energy: -107.275 bonds (distance) P-C4' energy: -121.289 flat angles C4'-P-C4' energy: -135.631 flat angles P-C4'-P energy: -96.678 tors. eta vs tors. theta energy: -167.883 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1930.768352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.768352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.768352 (E_RNA) where: Base-Base interactions energy: -1341.955 where: short stacking energy: -558.675 Base-Backbone interact. energy: 3.098 local terms energy: -591.911238 where: bonds (distance) C4'-P energy: -116.977 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -127.366 flat angles P-C4'-P energy: -75.095 tors. eta vs tors. theta energy: -155.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1848.142396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.142396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.142396 (E_RNA) where: Base-Base interactions energy: -1281.375 where: short stacking energy: -530.697 Base-Backbone interact. energy: -1.066 local terms energy: -565.701426 where: bonds (distance) C4'-P energy: -100.636 bonds (distance) P-C4' energy: -108.294 flat angles C4'-P-C4' energy: -124.338 flat angles P-C4'-P energy: -79.385 tors. eta vs tors. theta energy: -153.047 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: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1705.941141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.941141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.941141 (E_RNA) where: Base-Base interactions energy: -1164.155 where: short stacking energy: -479.639 Base-Backbone interact. energy: 1.872 local terms energy: -543.658370 where: bonds (distance) C4'-P energy: -96.880 bonds (distance) P-C4' energy: -113.160 flat angles C4'-P-C4' energy: -119.329 flat angles P-C4'-P energy: -75.902 tors. eta vs tors. theta energy: -138.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1565.954478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.954478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.954478 (E_RNA) where: Base-Base interactions energy: -1051.976 where: short stacking energy: -451.759 Base-Backbone interact. energy: -1.032 local terms energy: -512.946259 where: bonds (distance) C4'-P energy: -101.890 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -120.051 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -121.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1447.471390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.471390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.471390 (E_RNA) where: Base-Base interactions energy: -958.701 where: short stacking energy: -405.941 Base-Backbone interact. energy: 0.339 local terms energy: -489.109182 where: bonds (distance) C4'-P energy: -110.536 bonds (distance) P-C4' energy: -104.422 flat angles C4'-P-C4' energy: -89.875 flat angles P-C4'-P energy: -72.848 tors. eta vs tors. theta energy: -111.427 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: 436 Temperature: 1.250000 Total energy: -1219.957389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.957389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.957389 (E_RNA) where: Base-Base interactions energy: -790.257 where: short stacking energy: -396.220 Base-Backbone interact. energy: -0.919 local terms energy: -428.780499 where: bonds (distance) C4'-P energy: -91.264 bonds (distance) P-C4' energy: -103.191 flat angles C4'-P-C4' energy: -86.829 flat angles P-C4'-P energy: -46.205 tors. eta vs tors. theta energy: -101.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -933.169242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.169242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.169242 (E_RNA) where: Base-Base interactions energy: -552.904 where: short stacking energy: -280.744 Base-Backbone interact. energy: 0.190 local terms energy: -380.455415 where: bonds (distance) C4'-P energy: -98.012 bonds (distance) P-C4' energy: -92.038 flat angles C4'-P-C4' energy: -88.706 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -52.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -465.911826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.911826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.911826 (E_RNA) where: Base-Base interactions energy: -163.448 where: short stacking energy: -108.633 Base-Backbone interact. energy: -0.587 local terms energy: -301.876636 where: bonds (distance) C4'-P energy: -104.629 bonds (distance) P-C4' energy: -103.611 flat angles C4'-P-C4' energy: -69.652 flat angles P-C4'-P energy: -47.190 tors. eta vs tors. theta energy: 23.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2100.213059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.213059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.213059 (E_RNA) where: Base-Base interactions energy: -1445.500 where: short stacking energy: -603.063 Base-Backbone interact. energy: -2.509 local terms energy: -652.204227 where: bonds (distance) C4'-P energy: -110.776 bonds (distance) P-C4' energy: -122.103 flat angles C4'-P-C4' energy: -138.995 flat angles P-C4'-P energy: -103.867 tors. eta vs tors. theta energy: -176.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1976.011306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.011306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.011306 (E_RNA) where: Base-Base interactions energy: -1372.212 where: short stacking energy: -593.927 Base-Backbone interact. energy: 2.084 local terms energy: -605.882701 where: bonds (distance) C4'-P energy: -101.237 bonds (distance) P-C4' energy: -120.218 flat angles C4'-P-C4' energy: -140.838 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -172.308 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: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2021.405640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.405640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.405640 (E_RNA) where: Base-Base interactions energy: -1403.363 where: short stacking energy: -594.648 Base-Backbone interact. energy: 0.311 local terms energy: -618.353288 where: bonds (distance) C4'-P energy: -102.378 bonds (distance) P-C4' energy: -121.354 flat angles C4'-P-C4' energy: -131.355 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -179.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1863.171284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.171284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.171284 (E_RNA) where: Base-Base interactions energy: -1260.940 where: short stacking energy: -524.771 Base-Backbone interact. energy: -3.338 local terms energy: -598.892887 where: bonds (distance) C4'-P energy: -116.306 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -87.562 tors. eta vs tors. theta energy: -158.650 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: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1712.861122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.861122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.861122 (E_RNA) where: Base-Base interactions energy: -1182.695 where: short stacking energy: -482.460 Base-Backbone interact. energy: 1.648 local terms energy: -531.814082 where: bonds (distance) C4'-P energy: -109.399 bonds (distance) P-C4' energy: -101.638 flat angles C4'-P-C4' energy: -122.275 flat angles P-C4'-P energy: -76.412 tors. eta vs tors. theta energy: -122.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1577.350036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.350036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.350036 (E_RNA) where: Base-Base interactions energy: -1038.358 where: short stacking energy: -446.359 Base-Backbone interact. energy: -3.898 local terms energy: -535.093581 where: bonds (distance) C4'-P energy: -103.926 bonds (distance) P-C4' energy: -115.193 flat angles C4'-P-C4' energy: -120.036 flat angles P-C4'-P energy: -67.678 tors. eta vs tors. theta energy: -128.260 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: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1499.533576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.533576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.533576 (E_RNA) where: Base-Base interactions energy: -1002.119 where: short stacking energy: -427.386 Base-Backbone interact. energy: 2.400 local terms energy: -499.814166 where: bonds (distance) C4'-P energy: -102.985 bonds (distance) P-C4' energy: -103.518 flat angles C4'-P-C4' energy: -118.834 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: -110.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1199.727109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.727109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.727109 (E_RNA) where: Base-Base interactions energy: -750.119 where: short stacking energy: -350.174 Base-Backbone interact. energy: 3.720 local terms energy: -453.328939 where: bonds (distance) C4'-P energy: -105.305 bonds (distance) P-C4' energy: -97.894 flat angles C4'-P-C4' energy: -110.421 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -70.997 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: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1038.789263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.789263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.789263 (E_RNA) where: Base-Base interactions energy: -641.586 where: short stacking energy: -290.545 Base-Backbone interact. energy: 5.813 local terms energy: -403.016613 where: bonds (distance) C4'-P energy: -96.582 bonds (distance) P-C4' energy: -104.874 flat angles C4'-P-C4' energy: -78.630 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: -56.351 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: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -480.939748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.939748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.939748 (E_RNA) where: Base-Base interactions energy: -173.024 where: short stacking energy: -144.422 Base-Backbone interact. energy: -1.484 local terms energy: -306.432222 where: bonds (distance) C4'-P energy: -90.697 bonds (distance) P-C4' energy: -96.533 flat angles C4'-P-C4' energy: -82.258 flat angles P-C4'-P energy: -51.194 tors. eta vs tors. theta energy: 14.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2115.863147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.863147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.863147 (E_RNA) where: Base-Base interactions energy: -1466.581 where: short stacking energy: -615.062 Base-Backbone interact. energy: -1.574 local terms energy: -647.708697 where: bonds (distance) C4'-P energy: -119.489 bonds (distance) P-C4' energy: -114.345 flat angles C4'-P-C4' energy: -138.365 flat angles P-C4'-P energy: -91.448 tors. eta vs tors. theta energy: -184.062 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: 438 Temperature: 0.950000 Total energy: -2006.827155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.827155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.827155 (E_RNA) where: Base-Base interactions energy: -1392.016 where: short stacking energy: -605.857 Base-Backbone interact. energy: -2.064 local terms energy: -612.746888 where: bonds (distance) C4'-P energy: -120.603 bonds (distance) P-C4' energy: -98.110 flat angles C4'-P-C4' energy: -123.415 flat angles P-C4'-P energy: -88.986 tors. eta vs tors. theta energy: -181.634 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: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1998.870869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.870869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.870869 (E_RNA) where: Base-Base interactions energy: -1401.536 where: short stacking energy: -560.029 Base-Backbone interact. energy: -0.571 local terms energy: -596.764636 where: bonds (distance) C4'-P energy: -117.295 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -133.372 flat angles P-C4'-P energy: -75.626 tors. eta vs tors. theta energy: -166.161 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: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1876.396616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.396616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.396616 (E_RNA) where: Base-Base interactions energy: -1297.464 where: short stacking energy: -545.700 Base-Backbone interact. energy: -2.828 local terms energy: -576.104440 where: bonds (distance) C4'-P energy: -110.234 bonds (distance) P-C4' energy: -106.720 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: -162.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1718.228235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.228235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.228235 (E_RNA) where: Base-Base interactions energy: -1172.080 where: short stacking energy: -508.887 Base-Backbone interact. energy: -2.724 local terms energy: -543.424501 where: bonds (distance) C4'-P energy: -102.291 bonds (distance) P-C4' energy: -100.214 flat angles C4'-P-C4' energy: -124.290 flat angles P-C4'-P energy: -88.852 tors. eta vs tors. theta energy: -127.777 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: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1550.553779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.553779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.553779 (E_RNA) where: Base-Base interactions energy: -1012.311 where: short stacking energy: -448.910 Base-Backbone interact. energy: -2.128 local terms energy: -536.114841 where: bonds (distance) C4'-P energy: -97.285 bonds (distance) P-C4' energy: -115.276 flat angles C4'-P-C4' energy: -114.077 flat angles P-C4'-P energy: -78.547 tors. eta vs tors. theta energy: -130.929 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: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1427.817858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.817858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.817858 (E_RNA) where: Base-Base interactions energy: -948.363 where: short stacking energy: -385.113 Base-Backbone interact. energy: 0.943 local terms energy: -480.397564 where: bonds (distance) C4'-P energy: -96.922 bonds (distance) P-C4' energy: -92.925 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -64.153 tors. eta vs tors. theta energy: -112.263 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: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1179.303347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.303347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.303347 (E_RNA) where: Base-Base interactions energy: -750.097 where: short stacking energy: -331.929 Base-Backbone interact. energy: -2.086 local terms energy: -427.120730 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -103.769 flat angles C4'-P-C4' energy: -100.271 flat angles P-C4'-P energy: -60.923 tors. eta vs tors. theta energy: -70.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -977.597674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.597674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.597674 (E_RNA) where: Base-Base interactions energy: -610.126 where: short stacking energy: -271.825 Base-Backbone interact. energy: -2.851 local terms energy: -364.620635 where: bonds (distance) C4'-P energy: -83.001 bonds (distance) P-C4' energy: -95.499 flat angles C4'-P-C4' energy: -95.603 flat angles P-C4'-P energy: -59.512 tors. eta vs tors. theta energy: -31.007 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: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -494.883929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.883929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.883929 (E_RNA) where: Base-Base interactions energy: -198.026 where: short stacking energy: -160.830 Base-Backbone interact. energy: 3.528 local terms energy: -300.385754 where: bonds (distance) C4'-P energy: -105.873 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -76.442 flat angles P-C4'-P energy: -53.923 tors. eta vs tors. theta energy: 20.446 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: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2103.799694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.799694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.799694 (E_RNA) where: Base-Base interactions energy: -1442.904 where: short stacking energy: -634.616 Base-Backbone interact. energy: -3.032 local terms energy: -657.863362 where: bonds (distance) C4'-P energy: -125.385 bonds (distance) P-C4' energy: -127.207 flat angles C4'-P-C4' energy: -140.446 flat angles P-C4'-P energy: -83.381 tors. eta vs tors. theta energy: -181.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2035.360294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.360294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.360294 (E_RNA) where: Base-Base interactions energy: -1391.318 where: short stacking energy: -587.990 Base-Backbone interact. energy: -6.432 local terms energy: -637.609823 where: bonds (distance) C4'-P energy: -106.904 bonds (distance) P-C4' energy: -126.652 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -83.582 tors. eta vs tors. theta energy: -184.341 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: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1992.319566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.319566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.319566 (E_RNA) where: Base-Base interactions energy: -1384.545 where: short stacking energy: -598.246 Base-Backbone interact. energy: -2.772 local terms energy: -605.002484 where: bonds (distance) C4'-P energy: -112.860 bonds (distance) P-C4' energy: -99.211 flat angles C4'-P-C4' energy: -128.052 flat angles P-C4'-P energy: -93.712 tors. eta vs tors. theta energy: -171.168 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: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1902.713949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.713949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.713949 (E_RNA) where: Base-Base interactions energy: -1309.005 where: short stacking energy: -569.663 Base-Backbone interact. energy: -2.506 local terms energy: -591.202677 where: bonds (distance) C4'-P energy: -109.935 bonds (distance) P-C4' energy: -100.519 flat angles C4'-P-C4' energy: -125.268 flat angles P-C4'-P energy: -77.112 tors. eta vs tors. theta energy: -178.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1723.061143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.061143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.061143 (E_RNA) where: Base-Base interactions energy: -1185.243 where: short stacking energy: -482.363 Base-Backbone interact. energy: -2.319 local terms energy: -535.499854 where: bonds (distance) C4'-P energy: -109.456 bonds (distance) P-C4' energy: -103.711 flat angles C4'-P-C4' energy: -114.260 flat angles P-C4'-P energy: -76.626 tors. eta vs tors. theta energy: -131.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1587.353722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.353722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.353722 (E_RNA) where: Base-Base interactions energy: -1071.020 where: short stacking energy: -457.554 Base-Backbone interact. energy: -1.489 local terms energy: -514.845164 where: bonds (distance) C4'-P energy: -100.610 bonds (distance) P-C4' energy: -108.509 flat angles C4'-P-C4' energy: -110.841 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -125.333 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: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1453.527851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.527851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.527851 (E_RNA) where: Base-Base interactions energy: -980.585 where: short stacking energy: -420.083 Base-Backbone interact. energy: -2.666 local terms energy: -470.276473 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -106.362 flat angles C4'-P-C4' energy: -99.247 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -115.350 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: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1273.587092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.587092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.587092 (E_RNA) where: Base-Base interactions energy: -849.842 where: short stacking energy: -374.072 Base-Backbone interact. energy: 0.828 local terms energy: -424.573140 where: bonds (distance) C4'-P energy: -98.605 bonds (distance) P-C4' energy: -90.690 flat angles C4'-P-C4' energy: -108.476 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -78.573 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: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -974.761377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.761377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.761377 (E_RNA) where: Base-Base interactions energy: -576.480 where: short stacking energy: -273.013 Base-Backbone interact. energy: -1.992 local terms energy: -396.289689 where: bonds (distance) C4'-P energy: -99.430 bonds (distance) P-C4' energy: -88.141 flat angles C4'-P-C4' energy: -95.526 flat angles P-C4'-P energy: -78.125 tors. eta vs tors. theta energy: -35.068 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: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -450.610582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.610582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.610582 (E_RNA) where: Base-Base interactions energy: -133.158 where: short stacking energy: -113.506 Base-Backbone interact. energy: 5.261 local terms energy: -322.713548 where: bonds (distance) C4'-P energy: -99.846 bonds (distance) P-C4' energy: -103.624 flat angles C4'-P-C4' energy: -78.661 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: 11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2106.242516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.242516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.242516 (E_RNA) where: Base-Base interactions energy: -1466.517 where: short stacking energy: -611.082 Base-Backbone interact. energy: -4.699 local terms energy: -635.026209 where: bonds (distance) C4'-P energy: -111.875 bonds (distance) P-C4' energy: -111.790 flat angles C4'-P-C4' energy: -129.730 flat angles P-C4'-P energy: -91.825 tors. eta vs tors. theta energy: -189.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2049.553578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.553578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.553578 (E_RNA) where: Base-Base interactions energy: -1416.566 where: short stacking energy: -600.374 Base-Backbone interact. energy: -3.428 local terms energy: -629.560069 where: bonds (distance) C4'-P energy: -110.188 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -133.238 flat angles P-C4'-P energy: -82.001 tors. eta vs tors. theta energy: -180.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1932.088607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.088607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.088607 (E_RNA) where: Base-Base interactions energy: -1326.194 where: short stacking energy: -572.500 Base-Backbone interact. energy: -1.352 local terms energy: -604.542691 where: bonds (distance) C4'-P energy: -113.947 bonds (distance) P-C4' energy: -109.017 flat angles C4'-P-C4' energy: -128.637 flat angles P-C4'-P energy: -81.749 tors. eta vs tors. theta energy: -171.193 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: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1910.537265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.537265 (E_RNA) where: Base-Base interactions energy: -1340.058 where: short stacking energy: -549.809 Base-Backbone interact. energy: -0.719 local terms energy: -569.759926 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -120.718 flat angles C4'-P-C4' energy: -107.143 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -167.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1745.086525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.086525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.086525 (E_RNA) where: Base-Base interactions energy: -1195.096 where: short stacking energy: -519.767 Base-Backbone interact. energy: -5.064 local terms energy: -544.926660 where: bonds (distance) C4'-P energy: -111.514 bonds (distance) P-C4' energy: -92.293 flat angles C4'-P-C4' energy: -123.977 flat angles P-C4'-P energy: -74.946 tors. eta vs tors. theta energy: -142.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1593.622472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.622472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.622472 (E_RNA) where: Base-Base interactions energy: -1054.259 where: short stacking energy: -425.931 Base-Backbone interact. energy: 0.158 local terms energy: -539.520810 where: bonds (distance) C4'-P energy: -108.829 bonds (distance) P-C4' energy: -111.458 flat angles C4'-P-C4' energy: -115.771 flat angles P-C4'-P energy: -68.454 tors. eta vs tors. theta energy: -135.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1435.825531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.825531 (E_RNA) where: Base-Base interactions energy: -979.422 where: short stacking energy: -407.415 Base-Backbone interact. energy: 3.754 local terms energy: -460.158271 where: bonds (distance) C4'-P energy: -83.996 bonds (distance) P-C4' energy: -103.146 flat angles C4'-P-C4' energy: -94.385 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -104.716 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: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1212.162182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.162182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.162182 (E_RNA) where: Base-Base interactions energy: -784.259 where: short stacking energy: -341.548 Base-Backbone interact. energy: 0.623 local terms energy: -428.526404 where: bonds (distance) C4'-P energy: -91.723 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -115.659 flat angles P-C4'-P energy: -62.182 tors. eta vs tors. theta energy: -74.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -977.384112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.384112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.384112 (E_RNA) where: Base-Base interactions energy: -596.653 where: short stacking energy: -285.415 Base-Backbone interact. energy: -1.051 local terms energy: -379.680592 where: bonds (distance) C4'-P energy: -80.594 bonds (distance) P-C4' energy: -99.652 flat angles C4'-P-C4' energy: -99.680 flat angles P-C4'-P energy: -62.098 tors. eta vs tors. theta energy: -37.656 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: 440 Temperature: 1.350000 Total energy: -470.937841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.937841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.937841 (E_RNA) where: Base-Base interactions energy: -173.908 where: short stacking energy: -143.737 Base-Backbone interact. energy: 2.624 local terms energy: -299.654482 where: bonds (distance) C4'-P energy: -74.443 bonds (distance) P-C4' energy: -104.649 flat angles C4'-P-C4' energy: -90.078 flat angles P-C4'-P energy: -44.334 tors. eta vs tors. theta energy: 13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2103.220573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.220573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.220573 (E_RNA) where: Base-Base interactions energy: -1455.635 where: short stacking energy: -601.464 Base-Backbone interact. energy: -2.222 local terms energy: -645.363646 where: bonds (distance) C4'-P energy: -115.005 bonds (distance) P-C4' energy: -125.730 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -190.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2058.650867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.650867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.650867 (E_RNA) where: Base-Base interactions energy: -1413.370 where: short stacking energy: -618.694 Base-Backbone interact. energy: -4.156 local terms energy: -641.125559 where: bonds (distance) C4'-P energy: -110.870 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -137.840 flat angles P-C4'-P energy: -97.435 tors. eta vs tors. theta energy: -180.678 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1918.406380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.406380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.406380 (E_RNA) where: Base-Base interactions energy: -1316.212 where: short stacking energy: -557.203 Base-Backbone interact. energy: -1.933 local terms energy: -600.260916 where: bonds (distance) C4'-P energy: -112.320 bonds (distance) P-C4' energy: -103.405 flat angles C4'-P-C4' energy: -129.285 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -165.639 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: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1877.860584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.860584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.860584 (E_RNA) where: Base-Base interactions energy: -1282.262 where: short stacking energy: -530.717 Base-Backbone interact. energy: -2.857 local terms energy: -592.742171 where: bonds (distance) C4'-P energy: -116.467 bonds (distance) P-C4' energy: -100.861 flat angles C4'-P-C4' energy: -129.307 flat angles P-C4'-P energy: -86.703 tors. eta vs tors. theta energy: -159.403 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: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1733.855386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.855386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.855386 (E_RNA) where: Base-Base interactions energy: -1174.524 where: short stacking energy: -477.483 Base-Backbone interact. energy: -2.602 local terms energy: -556.728653 where: bonds (distance) C4'-P energy: -113.977 bonds (distance) P-C4' energy: -117.398 flat angles C4'-P-C4' energy: -126.087 flat angles P-C4'-P energy: -68.185 tors. eta vs tors. theta energy: -131.081 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: 441 Temperature: 1.150000 Total energy: -1585.647737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.647737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.647737 (E_RNA) where: Base-Base interactions energy: -1064.039 where: short stacking energy: -447.663 Base-Backbone interact. energy: 3.571 local terms energy: -525.179216 where: bonds (distance) C4'-P energy: -107.396 bonds (distance) P-C4' energy: -91.083 flat angles C4'-P-C4' energy: -124.740 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: -129.812 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: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1488.163111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.163111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.163111 (E_RNA) where: Base-Base interactions energy: -1016.916 where: short stacking energy: -439.110 Base-Backbone interact. energy: 2.571 local terms energy: -473.817861 where: bonds (distance) C4'-P energy: -95.468 bonds (distance) P-C4' energy: -99.936 flat angles C4'-P-C4' energy: -99.859 flat angles P-C4'-P energy: -73.422 tors. eta vs tors. theta energy: -105.133 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: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1261.817401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.817401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.817401 (E_RNA) where: Base-Base interactions energy: -811.943 where: short stacking energy: -331.888 Base-Backbone interact. energy: -0.681 local terms energy: -449.192533 where: bonds (distance) C4'-P energy: -105.950 bonds (distance) P-C4' energy: -93.720 flat angles C4'-P-C4' energy: -114.405 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -72.866 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: 9, replica: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -987.174165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.174165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.174165 (E_RNA) where: Base-Base interactions energy: -574.051 where: short stacking energy: -277.979 Base-Backbone interact. energy: -3.931 local terms energy: -409.192044 where: bonds (distance) C4'-P energy: -95.227 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -87.104 flat angles P-C4'-P energy: -62.304 tors. eta vs tors. theta energy: -46.775 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: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -455.040610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.040610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.040610 (E_RNA) where: Base-Base interactions energy: -157.336 where: short stacking energy: -126.010 Base-Backbone interact. energy: -1.053 local terms energy: -296.650976 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -104.005 flat angles C4'-P-C4' energy: -73.890 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: 6.445 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: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2096.855864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.855864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.855864 (E_RNA) where: Base-Base interactions energy: -1447.517 where: short stacking energy: -591.189 Base-Backbone interact. energy: -1.631 local terms energy: -647.707768 where: bonds (distance) C4'-P energy: -110.026 bonds (distance) P-C4' energy: -123.920 flat angles C4'-P-C4' energy: -138.893 flat angles P-C4'-P energy: -93.260 tors. eta vs tors. theta energy: -181.608 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2048.466830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.466830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.466830 (E_RNA) where: Base-Base interactions energy: -1431.440 where: short stacking energy: -592.116 Base-Backbone interact. energy: -0.250 local terms energy: -616.776857 where: bonds (distance) C4'-P energy: -108.712 bonds (distance) P-C4' energy: -118.656 flat angles C4'-P-C4' energy: -135.537 flat angles P-C4'-P energy: -80.008 tors. eta vs tors. theta energy: -173.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1947.179895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.179895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.179895 (E_RNA) where: Base-Base interactions energy: -1343.688 where: short stacking energy: -589.112 Base-Backbone interact. energy: -3.484 local terms energy: -600.008771 where: bonds (distance) C4'-P energy: -102.735 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -131.151 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -178.874 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: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1881.174345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.174345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.174345 (E_RNA) where: Base-Base interactions energy: -1296.126 where: short stacking energy: -548.029 Base-Backbone interact. energy: -0.593 local terms energy: -584.454938 where: bonds (distance) C4'-P energy: -108.646 bonds (distance) P-C4' energy: -95.803 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -91.027 tors. eta vs tors. theta energy: -159.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1666.113728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.113728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.113728 (E_RNA) where: Base-Base interactions energy: -1145.905 where: short stacking energy: -480.783 Base-Backbone interact. energy: -1.867 local terms energy: -518.341423 where: bonds (distance) C4'-P energy: -85.279 bonds (distance) P-C4' energy: -114.260 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -75.785 tors. eta vs tors. theta energy: -131.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1548.818769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.818769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.818769 (E_RNA) where: Base-Base interactions energy: -1038.073 where: short stacking energy: -467.151 Base-Backbone interact. energy: 0.619 local terms energy: -511.364681 where: bonds (distance) C4'-P energy: -105.335 bonds (distance) P-C4' energy: -102.604 flat angles C4'-P-C4' energy: -117.503 flat angles P-C4'-P energy: -73.701 tors. eta vs tors. theta energy: -112.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1419.403066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.403066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.403066 (E_RNA) where: Base-Base interactions energy: -951.885 where: short stacking energy: -422.284 Base-Backbone interact. energy: -1.187 local terms energy: -466.331830 where: bonds (distance) C4'-P energy: -88.259 bonds (distance) P-C4' energy: -78.553 flat angles C4'-P-C4' energy: -116.257 flat angles P-C4'-P energy: -72.514 tors. eta vs tors. theta energy: -110.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1263.547904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.547904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.547904 (E_RNA) where: Base-Base interactions energy: -818.711 where: short stacking energy: -349.894 Base-Backbone interact. energy: 1.783 local terms energy: -446.620239 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -106.829 flat angles C4'-P-C4' energy: -105.002 flat angles P-C4'-P energy: -64.827 tors. eta vs tors. theta energy: -88.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -953.945188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.945188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.945188 (E_RNA) where: Base-Base interactions energy: -568.303 where: short stacking energy: -277.177 Base-Backbone interact. energy: 4.589 local terms energy: -390.230248 where: bonds (distance) C4'-P energy: -105.041 bonds (distance) P-C4' energy: -98.843 flat angles C4'-P-C4' energy: -103.493 flat angles P-C4'-P energy: -53.666 tors. eta vs tors. theta energy: -29.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -465.181970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.181970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.181970 (E_RNA) where: Base-Base interactions energy: -157.116 where: short stacking energy: -109.320 Base-Backbone interact. energy: -0.523 local terms energy: -307.543449 where: bonds (distance) C4'-P energy: -98.238 bonds (distance) P-C4' energy: -102.696 flat angles C4'-P-C4' energy: -84.538 flat angles P-C4'-P energy: -57.706 tors. eta vs tors. theta energy: 35.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2088.583353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.583353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.583353 (E_RNA) where: Base-Base interactions energy: -1463.344 where: short stacking energy: -619.829 Base-Backbone interact. energy: -1.050 local terms energy: -624.189024 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -116.637 flat angles C4'-P-C4' energy: -133.948 flat angles P-C4'-P energy: -86.049 tors. eta vs tors. theta energy: -177.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2046.400442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.400442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.400442 (E_RNA) where: Base-Base interactions energy: -1413.861 where: short stacking energy: -605.051 Base-Backbone interact. energy: -4.196 local terms energy: -628.343141 where: bonds (distance) C4'-P energy: -117.440 bonds (distance) P-C4' energy: -120.239 flat angles C4'-P-C4' energy: -130.093 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -182.888 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: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1915.337092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.337092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.337092 (E_RNA) where: Base-Base interactions energy: -1329.134 where: short stacking energy: -583.427 Base-Backbone interact. energy: -2.045 local terms energy: -584.157941 where: bonds (distance) C4'-P energy: -105.451 bonds (distance) P-C4' energy: -112.890 flat angles C4'-P-C4' energy: -119.658 flat angles P-C4'-P energy: -71.557 tors. eta vs tors. theta energy: -174.603 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: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1946.101611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.101611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.101611 (E_RNA) where: Base-Base interactions energy: -1334.327 where: short stacking energy: -563.513 Base-Backbone interact. energy: -0.020 local terms energy: -611.754763 where: bonds (distance) C4'-P energy: -113.092 bonds (distance) P-C4' energy: -109.424 flat angles C4'-P-C4' energy: -135.247 flat angles P-C4'-P energy: -84.780 tors. eta vs tors. theta energy: -169.211 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1644.017570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.017570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.017570 (E_RNA) where: Base-Base interactions energy: -1131.202 where: short stacking energy: -464.519 Base-Backbone interact. energy: 2.627 local terms energy: -515.442393 where: bonds (distance) C4'-P energy: -93.140 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -115.183 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -131.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1496.197173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.197173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.197173 (E_RNA) where: Base-Base interactions energy: -986.294 where: short stacking energy: -418.201 Base-Backbone interact. energy: -2.051 local terms energy: -507.852394 where: bonds (distance) C4'-P energy: -106.786 bonds (distance) P-C4' energy: -101.158 flat angles C4'-P-C4' energy: -112.631 flat angles P-C4'-P energy: -74.924 tors. eta vs tors. theta energy: -112.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1441.126540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.126540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.126540 (E_RNA) where: Base-Base interactions energy: -965.087 where: short stacking energy: -407.766 Base-Backbone interact. energy: -2.547 local terms energy: -473.492271 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -104.743 flat angles C4'-P-C4' energy: -110.214 flat angles P-C4'-P energy: -74.175 tors. eta vs tors. theta energy: -90.799 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: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1197.549537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.549537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.549537 (E_RNA) where: Base-Base interactions energy: -789.667 where: short stacking energy: -326.719 Base-Backbone interact. energy: 0.786 local terms energy: -408.668689 where: bonds (distance) C4'-P energy: -92.253 bonds (distance) P-C4' energy: -95.070 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -70.068 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: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -929.843608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.843608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.843608 (E_RNA) where: Base-Base interactions energy: -524.225 where: short stacking energy: -243.071 Base-Backbone interact. energy: 0.314 local terms energy: -405.932960 where: bonds (distance) C4'-P energy: -93.426 bonds (distance) P-C4' energy: -106.031 flat angles C4'-P-C4' energy: -101.922 flat angles P-C4'-P energy: -66.825 tors. eta vs tors. theta energy: -37.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -480.476150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.476150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.476150 (E_RNA) where: Base-Base interactions energy: -184.335 where: short stacking energy: -139.875 Base-Backbone interact. energy: -2.167 local terms energy: -293.974097 where: bonds (distance) C4'-P energy: -96.510 bonds (distance) P-C4' energy: -80.854 flat angles C4'-P-C4' energy: -83.904 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: 19.701 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: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2081.345597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.345597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.345597 (E_RNA) where: Base-Base interactions energy: -1440.498 where: short stacking energy: -623.339 Base-Backbone interact. energy: -1.472 local terms energy: -639.375847 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -126.087 flat angles C4'-P-C4' energy: -128.141 flat angles P-C4'-P energy: -83.095 tors. eta vs tors. theta energy: -180.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2040.258539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.258539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.258539 (E_RNA) where: Base-Base interactions energy: -1442.775 where: short stacking energy: -586.695 Base-Backbone interact. energy: -1.027 local terms energy: -596.456463 where: bonds (distance) C4'-P energy: -98.886 bonds (distance) P-C4' energy: -107.021 flat angles C4'-P-C4' energy: -128.966 flat angles P-C4'-P energy: -90.598 tors. eta vs tors. theta energy: -170.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1959.717535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.717535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.717535 (E_RNA) where: Base-Base interactions energy: -1368.104 where: short stacking energy: -582.761 Base-Backbone interact. energy: -0.167 local terms energy: -591.446856 where: bonds (distance) C4'-P energy: -106.709 bonds (distance) P-C4' energy: -91.254 flat angles C4'-P-C4' energy: -132.691 flat angles P-C4'-P energy: -84.764 tors. eta vs tors. theta energy: -176.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1872.065198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.065198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.065198 (E_RNA) where: Base-Base interactions energy: -1292.704 where: short stacking energy: -544.325 Base-Backbone interact. energy: -1.154 local terms energy: -578.207409 where: bonds (distance) C4'-P energy: -104.791 bonds (distance) P-C4' energy: -103.387 flat angles C4'-P-C4' energy: -128.315 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -177.711 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: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1705.694091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.694091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.694091 (E_RNA) where: Base-Base interactions energy: -1158.909 where: short stacking energy: -487.401 Base-Backbone interact. energy: 0.218 local terms energy: -547.003037 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -117.127 flat angles C4'-P-C4' energy: -115.656 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: -139.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1507.258382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.258382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.258382 (E_RNA) where: Base-Base interactions energy: -991.823 where: short stacking energy: -435.116 Base-Backbone interact. energy: -0.255 local terms energy: -515.179939 where: bonds (distance) C4'-P energy: -107.820 bonds (distance) P-C4' energy: -104.677 flat angles C4'-P-C4' energy: -119.524 flat angles P-C4'-P energy: -69.352 tors. eta vs tors. theta energy: -113.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1421.542123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.542123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.542123 (E_RNA) where: Base-Base interactions energy: -945.121 where: short stacking energy: -393.917 Base-Backbone interact. energy: 1.575 local terms energy: -477.995698 where: bonds (distance) C4'-P energy: -102.499 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -129.555 flat angles P-C4'-P energy: -70.290 tors. eta vs tors. theta energy: -96.497 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: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1267.583277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.583277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.583277 (E_RNA) where: Base-Base interactions energy: -845.914 where: short stacking energy: -380.185 Base-Backbone interact. energy: -2.100 local terms energy: -419.568910 where: bonds (distance) C4'-P energy: -97.473 bonds (distance) P-C4' energy: -94.386 flat angles C4'-P-C4' energy: -96.453 flat angles P-C4'-P energy: -48.570 tors. eta vs tors. theta energy: -82.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1016.184713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.184713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.184713 (E_RNA) where: Base-Base interactions energy: -632.380 where: short stacking energy: -277.481 Base-Backbone interact. energy: -0.840 local terms energy: -382.964567 where: bonds (distance) C4'-P energy: -104.032 bonds (distance) P-C4' energy: -100.410 flat angles C4'-P-C4' energy: -82.728 flat angles P-C4'-P energy: -49.186 tors. eta vs tors. theta energy: -46.608 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: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -527.560333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.560333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.560333 (E_RNA) where: Base-Base interactions energy: -243.656 where: short stacking energy: -148.969 Base-Backbone interact. energy: -4.184 local terms energy: -279.720135 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -83.593 flat angles C4'-P-C4' energy: -87.728 flat angles P-C4'-P energy: -54.561 tors. eta vs tors. theta energy: 32.265 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: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2105.648628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.648628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.648628 (E_RNA) where: Base-Base interactions energy: -1451.115 where: short stacking energy: -621.317 Base-Backbone interact. energy: -2.017 local terms energy: -652.516490 where: bonds (distance) C4'-P energy: -121.538 bonds (distance) P-C4' energy: -110.460 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -96.379 tors. eta vs tors. theta energy: -186.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2029.077006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.077006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.077006 (E_RNA) where: Base-Base interactions energy: -1388.248 where: short stacking energy: -578.911 Base-Backbone interact. energy: -1.552 local terms energy: -639.277503 where: bonds (distance) C4'-P energy: -123.266 bonds (distance) P-C4' energy: -107.817 flat angles C4'-P-C4' energy: -136.584 flat angles P-C4'-P energy: -103.063 tors. eta vs tors. theta energy: -168.547 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: 445 Temperature: 1.000000 Total energy: -1942.817963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.817963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.817963 (E_RNA) where: Base-Base interactions energy: -1336.502 where: short stacking energy: -557.471 Base-Backbone interact. energy: -2.794 local terms energy: -603.521885 where: bonds (distance) C4'-P energy: -106.530 bonds (distance) P-C4' energy: -117.185 flat angles C4'-P-C4' energy: -133.368 flat angles P-C4'-P energy: -79.943 tors. eta vs tors. theta energy: -166.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1866.531344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.531344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.531344 (E_RNA) where: Base-Base interactions energy: -1265.077 where: short stacking energy: -556.555 Base-Backbone interact. energy: -2.639 local terms energy: -598.815369 where: bonds (distance) C4'-P energy: -97.619 bonds (distance) P-C4' energy: -112.964 flat angles C4'-P-C4' energy: -131.339 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -164.055 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: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1665.173602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.173602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.173602 (E_RNA) where: Base-Base interactions energy: -1159.642 where: short stacking energy: -473.435 Base-Backbone interact. energy: -1.290 local terms energy: -504.241696 where: bonds (distance) C4'-P energy: -81.776 bonds (distance) P-C4' energy: -105.814 flat angles C4'-P-C4' energy: -107.009 flat angles P-C4'-P energy: -75.105 tors. eta vs tors. theta energy: -134.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1438.556668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.556668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.556668 (E_RNA) where: Base-Base interactions energy: -948.408 where: short stacking energy: -393.959 Base-Backbone interact. energy: -1.756 local terms energy: -488.392746 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -123.426 flat angles C4'-P-C4' energy: -96.904 flat angles P-C4'-P energy: -58.674 tors. eta vs tors. theta energy: -99.167 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: 445 Temperature: 1.200000 Total energy: -1442.417081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.417081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.417081 (E_RNA) where: Base-Base interactions energy: -966.376 where: short stacking energy: -438.279 Base-Backbone interact. energy: 3.890 local terms energy: -479.931782 where: bonds (distance) C4'-P energy: -114.199 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -99.934 flat angles P-C4'-P energy: -69.501 tors. eta vs tors. theta energy: -107.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1256.175590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.175590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.175590 (E_RNA) where: Base-Base interactions energy: -829.138 where: short stacking energy: -356.626 Base-Backbone interact. energy: -2.502 local terms energy: -424.536145 where: bonds (distance) C4'-P energy: -84.246 bonds (distance) P-C4' energy: -110.140 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -56.424 tors. eta vs tors. theta energy: -75.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1074.042111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.042111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.042111 (E_RNA) where: Base-Base interactions energy: -665.770 where: short stacking energy: -320.377 Base-Backbone interact. energy: 4.990 local terms energy: -413.262198 where: bonds (distance) C4'-P energy: -91.142 bonds (distance) P-C4' energy: -109.835 flat angles C4'-P-C4' energy: -102.193 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -63.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -487.031894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.031894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.031894 (E_RNA) where: Base-Base interactions energy: -199.620 where: short stacking energy: -143.972 Base-Backbone interact. energy: 0.863 local terms energy: -288.274913 where: bonds (distance) C4'-P energy: -91.931 bonds (distance) P-C4' energy: -97.537 flat angles C4'-P-C4' energy: -71.992 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: 12.542 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: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2105.418139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.418139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.418139 (E_RNA) where: Base-Base interactions energy: -1483.134 where: short stacking energy: -609.416 Base-Backbone interact. energy: -5.086 local terms energy: -617.197788 where: bonds (distance) C4'-P energy: -100.001 bonds (distance) P-C4' energy: -121.193 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -79.681 tors. eta vs tors. theta energy: -180.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2027.747759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.747759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.747759 (E_RNA) where: Base-Base interactions energy: -1380.604 where: short stacking energy: -613.066 Base-Backbone interact. energy: -1.677 local terms energy: -645.466559 where: bonds (distance) C4'-P energy: -121.983 bonds (distance) P-C4' energy: -104.284 flat angles C4'-P-C4' energy: -139.383 flat angles P-C4'-P energy: -94.602 tors. eta vs tors. theta energy: -185.216 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: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1966.049852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.049852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.049852 (E_RNA) where: Base-Base interactions energy: -1327.232 where: short stacking energy: -579.687 Base-Backbone interact. energy: -3.176 local terms energy: -635.641551 where: bonds (distance) C4'-P energy: -113.562 bonds (distance) P-C4' energy: -115.985 flat angles C4'-P-C4' energy: -134.998 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -180.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1871.835136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.835136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.835136 (E_RNA) where: Base-Base interactions energy: -1266.875 where: short stacking energy: -546.950 Base-Backbone interact. energy: -1.178 local terms energy: -603.782430 where: bonds (distance) C4'-P energy: -107.263 bonds (distance) P-C4' energy: -114.295 flat angles C4'-P-C4' energy: -123.101 flat angles P-C4'-P energy: -84.913 tors. eta vs tors. theta energy: -174.211 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: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1693.259105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.259105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.259105 (E_RNA) where: Base-Base interactions energy: -1156.203 where: short stacking energy: -487.868 Base-Backbone interact. energy: 2.394 local terms energy: -539.450350 where: bonds (distance) C4'-P energy: -107.246 bonds (distance) P-C4' energy: -94.797 flat angles C4'-P-C4' energy: -127.779 flat angles P-C4'-P energy: -78.239 tors. eta vs tors. theta energy: -131.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1475.517353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.517353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.517353 (E_RNA) where: Base-Base interactions energy: -972.023 where: short stacking energy: -411.090 Base-Backbone interact. energy: -1.572 local terms energy: -501.922627 where: bonds (distance) C4'-P energy: -105.938 bonds (distance) P-C4' energy: -110.658 flat angles C4'-P-C4' energy: -114.996 flat angles P-C4'-P energy: -62.510 tors. eta vs tors. theta energy: -107.820 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: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1456.417205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.417205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.417205 (E_RNA) where: Base-Base interactions energy: -943.227 where: short stacking energy: -410.566 Base-Backbone interact. energy: 0.221 local terms energy: -513.411276 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -117.338 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -102.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1249.330118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.330118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.330118 (E_RNA) where: Base-Base interactions energy: -824.265 where: short stacking energy: -364.073 Base-Backbone interact. energy: -0.996 local terms energy: -424.069649 where: bonds (distance) C4'-P energy: -93.521 bonds (distance) P-C4' energy: -105.615 flat angles C4'-P-C4' energy: -103.455 flat angles P-C4'-P energy: -52.806 tors. eta vs tors. theta energy: -68.674 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: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1025.835255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.835255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.835255 (E_RNA) where: Base-Base interactions energy: -635.724 where: short stacking energy: -263.920 Base-Backbone interact. energy: 0.114 local terms energy: -390.225444 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -90.310 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: -37.959 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: 446 Temperature: 1.350000 Total energy: -481.024943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.024943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.024943 (E_RNA) where: Base-Base interactions energy: -186.366 where: short stacking energy: -136.704 Base-Backbone interact. energy: 1.803 local terms energy: -296.462038 where: bonds (distance) C4'-P energy: -94.650 bonds (distance) P-C4' energy: -94.945 flat angles C4'-P-C4' energy: -77.517 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: 12.158 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: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2127.557012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.557012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.557012 (E_RNA) where: Base-Base interactions energy: -1461.176 where: short stacking energy: -611.485 Base-Backbone interact. energy: -3.113 local terms energy: -663.267979 where: bonds (distance) C4'-P energy: -113.446 bonds (distance) P-C4' energy: -128.550 flat angles C4'-P-C4' energy: -139.365 flat angles P-C4'-P energy: -100.446 tors. eta vs tors. theta energy: -181.461 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: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2035.226133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.226133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.226133 (E_RNA) where: Base-Base interactions energy: -1389.532 where: short stacking energy: -607.215 Base-Backbone interact. energy: 0.410 local terms energy: -646.104186 where: bonds (distance) C4'-P energy: -112.257 bonds (distance) P-C4' energy: -137.287 flat angles C4'-P-C4' energy: -128.804 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -177.034 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: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1952.838795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.838795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.838795 (E_RNA) where: Base-Base interactions energy: -1340.925 where: short stacking energy: -576.498 Base-Backbone interact. energy: -2.686 local terms energy: -609.227450 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -105.144 flat angles C4'-P-C4' energy: -123.395 flat angles P-C4'-P energy: -84.045 tors. eta vs tors. theta energy: -180.741 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1860.781908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.781908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.781908 (E_RNA) where: Base-Base interactions energy: -1267.829 where: short stacking energy: -553.917 Base-Backbone interact. energy: 3.247 local terms energy: -596.199053 where: bonds (distance) C4'-P energy: -104.232 bonds (distance) P-C4' energy: -115.494 flat angles C4'-P-C4' energy: -137.533 flat angles P-C4'-P energy: -78.310 tors. eta vs tors. theta energy: -160.630 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1667.779162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.779162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.779162 (E_RNA) where: Base-Base interactions energy: -1123.047 where: short stacking energy: -474.047 Base-Backbone interact. energy: -2.468 local terms energy: -542.264453 where: bonds (distance) C4'-P energy: -113.618 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -122.574 flat angles P-C4'-P energy: -81.810 tors. eta vs tors. theta energy: -121.952 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: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1480.408231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.408231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.408231 (E_RNA) where: Base-Base interactions energy: -974.920 where: short stacking energy: -419.450 Base-Backbone interact. energy: 4.491 local terms energy: -509.979992 where: bonds (distance) C4'-P energy: -100.062 bonds (distance) P-C4' energy: -119.845 flat angles C4'-P-C4' energy: -118.558 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -98.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1358.768340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.768340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.768340 (E_RNA) where: Base-Base interactions energy: -900.927 where: short stacking energy: -403.624 Base-Backbone interact. energy: 0.666 local terms energy: -458.507831 where: bonds (distance) C4'-P energy: -87.032 bonds (distance) P-C4' energy: -101.263 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -69.910 tors. eta vs tors. theta energy: -88.078 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: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1246.110363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.110363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.110363 (E_RNA) where: Base-Base interactions energy: -794.276 where: short stacking energy: -339.674 Base-Backbone interact. energy: -2.598 local terms energy: -449.236978 where: bonds (distance) C4'-P energy: -101.870 bonds (distance) P-C4' energy: -116.683 flat angles C4'-P-C4' energy: -98.641 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: -72.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1081.410261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.410261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.410261 (E_RNA) where: Base-Base interactions energy: -641.638 where: short stacking energy: -298.384 Base-Backbone interact. energy: 2.724 local terms energy: -442.496346 where: bonds (distance) C4'-P energy: -107.455 bonds (distance) P-C4' energy: -94.548 flat angles C4'-P-C4' energy: -108.331 flat angles P-C4'-P energy: -68.532 tors. eta vs tors. theta energy: -63.630 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: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -470.849230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.849230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.849230 (E_RNA) where: Base-Base interactions energy: -174.234 where: short stacking energy: -141.205 Base-Backbone interact. energy: -1.135 local terms energy: -295.480433 where: bonds (distance) C4'-P energy: -99.042 bonds (distance) P-C4' energy: -94.549 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -29.415 tors. eta vs tors. theta energy: 14.736 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: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2119.868295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.868295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.868295 (E_RNA) where: Base-Base interactions energy: -1472.165 where: short stacking energy: -610.076 Base-Backbone interact. energy: -1.641 local terms energy: -646.061515 where: bonds (distance) C4'-P energy: -111.596 bonds (distance) P-C4' energy: -129.205 flat angles C4'-P-C4' energy: -138.544 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -179.321 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2012.065986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.065986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.065986 (E_RNA) where: Base-Base interactions energy: -1402.735 where: short stacking energy: -570.611 Base-Backbone interact. energy: -3.190 local terms energy: -606.140858 where: bonds (distance) C4'-P energy: -120.339 bonds (distance) P-C4' energy: -107.115 flat angles C4'-P-C4' energy: -127.324 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: -173.493 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: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1954.441970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.441970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.441970 (E_RNA) where: Base-Base interactions energy: -1330.821 where: short stacking energy: -591.558 Base-Backbone interact. energy: -1.746 local terms energy: -621.874728 where: bonds (distance) C4'-P energy: -105.391 bonds (distance) P-C4' energy: -108.891 flat angles C4'-P-C4' energy: -137.095 flat angles P-C4'-P energy: -89.455 tors. eta vs tors. theta energy: -181.043 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: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1893.455141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.455141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.455141 (E_RNA) where: Base-Base interactions energy: -1291.242 where: short stacking energy: -542.281 Base-Backbone interact. energy: -0.253 local terms energy: -601.960399 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -114.888 flat angles C4'-P-C4' energy: -121.838 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -168.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1679.344484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.344484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.344484 (E_RNA) where: Base-Base interactions energy: -1139.912 where: short stacking energy: -449.375 Base-Backbone interact. energy: 2.068 local terms energy: -541.500024 where: bonds (distance) C4'-P energy: -106.873 bonds (distance) P-C4' energy: -114.137 flat angles C4'-P-C4' energy: -101.775 flat angles P-C4'-P energy: -87.147 tors. eta vs tors. theta energy: -131.568 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: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1528.752581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.752581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.752581 (E_RNA) where: Base-Base interactions energy: -1002.056 where: short stacking energy: -466.017 Base-Backbone interact. energy: -1.768 local terms energy: -524.928836 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -110.399 flat angles C4'-P-C4' energy: -105.214 flat angles P-C4'-P energy: -82.518 tors. eta vs tors. theta energy: -121.051 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: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1462.389205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.389205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.389205 (E_RNA) where: Base-Base interactions energy: -991.072 where: short stacking energy: -400.849 Base-Backbone interact. energy: 0.063 local terms energy: -471.379991 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -94.420 flat angles C4'-P-C4' energy: -111.111 flat angles P-C4'-P energy: -52.213 tors. eta vs tors. theta energy: -105.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1227.613910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.613910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.613910 (E_RNA) where: Base-Base interactions energy: -795.381 where: short stacking energy: -308.368 Base-Backbone interact. energy: -1.981 local terms energy: -430.252107 where: bonds (distance) C4'-P energy: -104.905 bonds (distance) P-C4' energy: -95.650 flat angles C4'-P-C4' energy: -94.662 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -68.715 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: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -970.332794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.332794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.332794 (E_RNA) where: Base-Base interactions energy: -640.207 where: short stacking energy: -286.279 Base-Backbone interact. energy: 1.165 local terms energy: -331.290683 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -98.300 flat angles C4'-P-C4' energy: -81.078 flat angles P-C4'-P energy: -57.593 tors. eta vs tors. theta energy: -20.708 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: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -464.588314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.588314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.588314 (E_RNA) where: Base-Base interactions energy: -169.325 where: short stacking energy: -122.671 Base-Backbone interact. energy: -0.659 local terms energy: -294.604841 where: bonds (distance) C4'-P energy: -92.077 bonds (distance) P-C4' energy: -89.573 flat angles C4'-P-C4' energy: -75.781 flat angles P-C4'-P energy: -58.461 tors. eta vs tors. theta energy: 21.288 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: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2119.500560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.500560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.500560 (E_RNA) where: Base-Base interactions energy: -1479.465 where: short stacking energy: -602.897 Base-Backbone interact. energy: -0.550 local terms energy: -639.486081 where: bonds (distance) C4'-P energy: -107.438 bonds (distance) P-C4' energy: -126.090 flat angles C4'-P-C4' energy: -131.090 flat angles P-C4'-P energy: -85.143 tors. eta vs tors. theta energy: -189.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2027.066674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.066674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.066674 (E_RNA) where: Base-Base interactions energy: -1394.410 where: short stacking energy: -585.372 Base-Backbone interact. energy: -2.562 local terms energy: -630.094662 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -124.711 flat angles C4'-P-C4' energy: -128.059 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: -181.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1932.076652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.076652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.076652 (E_RNA) where: Base-Base interactions energy: -1315.192 where: short stacking energy: -584.190 Base-Backbone interact. energy: -2.717 local terms energy: -614.167677 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -107.462 flat angles C4'-P-C4' energy: -130.706 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -179.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1879.217391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.217391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.217391 (E_RNA) where: Base-Base interactions energy: -1269.475 where: short stacking energy: -557.496 Base-Backbone interact. energy: -0.456 local terms energy: -609.287280 where: bonds (distance) C4'-P energy: -108.434 bonds (distance) P-C4' energy: -116.278 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -87.265 tors. eta vs tors. theta energy: -176.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1709.146447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.146447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.146447 (E_RNA) where: Base-Base interactions energy: -1173.215 where: short stacking energy: -490.706 Base-Backbone interact. energy: -3.406 local terms energy: -532.525618 where: bonds (distance) C4'-P energy: -108.534 bonds (distance) P-C4' energy: -106.992 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -73.734 tors. eta vs tors. theta energy: -138.271 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: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1529.681349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.681349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.681349 (E_RNA) where: Base-Base interactions energy: -1027.299 where: short stacking energy: -440.774 Base-Backbone interact. energy: -1.163 local terms energy: -501.219693 where: bonds (distance) C4'-P energy: -92.969 bonds (distance) P-C4' energy: -99.392 flat angles C4'-P-C4' energy: -114.449 flat angles P-C4'-P energy: -73.465 tors. eta vs tors. theta energy: -120.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1436.839808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.839808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.839808 (E_RNA) where: Base-Base interactions energy: -927.843 where: short stacking energy: -398.502 Base-Backbone interact. energy: 1.212 local terms energy: -510.208888 where: bonds (distance) C4'-P energy: -119.975 bonds (distance) P-C4' energy: -108.623 flat angles C4'-P-C4' energy: -109.385 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: -100.391 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: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1262.611519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.611519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.611519 (E_RNA) where: Base-Base interactions energy: -809.504 where: short stacking energy: -346.956 Base-Backbone interact. energy: 2.802 local terms energy: -455.908821 where: bonds (distance) C4'-P energy: -107.242 bonds (distance) P-C4' energy: -114.458 flat angles C4'-P-C4' energy: -94.888 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -89.656 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: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -945.010246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.010246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.010246 (E_RNA) where: Base-Base interactions energy: -613.081 where: short stacking energy: -300.997 Base-Backbone interact. energy: 2.881 local terms energy: -334.810671 where: bonds (distance) C4'-P energy: -83.070 bonds (distance) P-C4' energy: -95.937 flat angles C4'-P-C4' energy: -87.749 flat angles P-C4'-P energy: -34.058 tors. eta vs tors. theta energy: -33.996 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: 449 Temperature: 1.350000 Total energy: -454.913501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.913501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.913501 (E_RNA) where: Base-Base interactions energy: -148.518 where: short stacking energy: -129.971 Base-Backbone interact. energy: -1.475 local terms energy: -304.920850 where: bonds (distance) C4'-P energy: -97.263 bonds (distance) P-C4' energy: -98.932 flat angles C4'-P-C4' energy: -87.143 flat angles P-C4'-P energy: -49.819 tors. eta vs tors. theta energy: 28.236 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: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2148.758045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.758045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.758045 (E_RNA) where: Base-Base interactions energy: -1491.078 where: short stacking energy: -626.796 Base-Backbone interact. energy: -3.005 local terms energy: -654.674922 where: bonds (distance) C4'-P energy: -122.106 bonds (distance) P-C4' energy: -111.124 flat angles C4'-P-C4' energy: -135.142 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -187.820 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: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2030.986915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.986915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.986915 (E_RNA) where: Base-Base interactions energy: -1412.615 where: short stacking energy: -603.130 Base-Backbone interact. energy: 0.642 local terms energy: -619.013668 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -125.122 flat angles C4'-P-C4' energy: -140.529 flat angles P-C4'-P energy: -81.803 tors. eta vs tors. theta energy: -179.341 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: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1974.511896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.511896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.511896 (E_RNA) where: Base-Base interactions energy: -1358.299 where: short stacking energy: -580.513 Base-Backbone interact. energy: -3.014 local terms energy: -613.198868 where: bonds (distance) C4'-P energy: -114.460 bonds (distance) P-C4' energy: -110.377 flat angles C4'-P-C4' energy: -127.710 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -178.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1859.492661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.492661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.492661 (E_RNA) where: Base-Base interactions energy: -1276.371 where: short stacking energy: -556.175 Base-Backbone interact. energy: -0.353 local terms energy: -582.769332 where: bonds (distance) C4'-P energy: -103.318 bonds (distance) P-C4' energy: -112.071 flat angles C4'-P-C4' energy: -124.666 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -170.109 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: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1721.228173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.228173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.228173 (E_RNA) where: Base-Base interactions energy: -1192.315 where: short stacking energy: -496.116 Base-Backbone interact. energy: -1.430 local terms energy: -527.482996 where: bonds (distance) C4'-P energy: -98.335 bonds (distance) P-C4' energy: -99.577 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -135.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1563.521295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.521295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.521295 (E_RNA) where: Base-Base interactions energy: -1034.097 where: short stacking energy: -463.015 Base-Backbone interact. energy: -0.855 local terms energy: -528.568748 where: bonds (distance) C4'-P energy: -86.076 bonds (distance) P-C4' energy: -122.294 flat angles C4'-P-C4' energy: -129.545 flat angles P-C4'-P energy: -75.126 tors. eta vs tors. theta energy: -115.527 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: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1397.635458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.635458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.635458 (E_RNA) where: Base-Base interactions energy: -929.790 where: short stacking energy: -385.883 Base-Backbone interact. energy: -4.271 local terms energy: -463.574981 where: bonds (distance) C4'-P energy: -96.939 bonds (distance) P-C4' energy: -109.894 flat angles C4'-P-C4' energy: -99.292 flat angles P-C4'-P energy: -54.185 tors. eta vs tors. theta energy: -103.266 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: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1219.697425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.697425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.697425 (E_RNA) where: Base-Base interactions energy: -781.357 where: short stacking energy: -326.941 Base-Backbone interact. energy: -0.062 local terms energy: -438.278789 where: bonds (distance) C4'-P energy: -89.260 bonds (distance) P-C4' energy: -115.806 flat angles C4'-P-C4' energy: -104.907 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -71.929 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: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -893.691204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.691204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.691204 (E_RNA) where: Base-Base interactions energy: -514.698 where: short stacking energy: -246.527 Base-Backbone interact. energy: 2.601 local terms energy: -381.594262 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -95.438 flat angles P-C4'-P energy: -57.397 tors. eta vs tors. theta energy: -31.981 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: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -446.246941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.246941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.246941 (E_RNA) where: Base-Base interactions energy: -163.351 where: short stacking energy: -149.683 Base-Backbone interact. energy: 2.464 local terms energy: -285.359743 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -91.342 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -36.713 tors. eta vs tors. theta energy: 28.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2132.121770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.121770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.121770 (E_RNA) where: Base-Base interactions energy: -1480.208 where: short stacking energy: -615.455 Base-Backbone interact. energy: -2.430 local terms energy: -649.483645 where: bonds (distance) C4'-P energy: -128.615 bonds (distance) P-C4' energy: -115.471 flat angles C4'-P-C4' energy: -144.206 flat angles P-C4'-P energy: -86.070 tors. eta vs tors. theta energy: -175.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2018.994318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.994318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.994318 (E_RNA) where: Base-Base interactions energy: -1393.027 where: short stacking energy: -615.332 Base-Backbone interact. energy: -2.127 local terms energy: -623.839599 where: bonds (distance) C4'-P energy: -112.958 bonds (distance) P-C4' energy: -108.394 flat angles C4'-P-C4' energy: -133.561 flat angles P-C4'-P energy: -89.117 tors. eta vs tors. theta energy: -179.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1965.475270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.475270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.475270 (E_RNA) where: Base-Base interactions energy: -1351.432 where: short stacking energy: -568.345 Base-Backbone interact. energy: -3.232 local terms energy: -610.811308 where: bonds (distance) C4'-P energy: -120.911 bonds (distance) P-C4' energy: -114.639 flat angles C4'-P-C4' energy: -122.426 flat angles P-C4'-P energy: -88.188 tors. eta vs tors. theta energy: -164.647 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: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1820.062772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.062772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.062772 (E_RNA) where: Base-Base interactions energy: -1252.046 where: short stacking energy: -538.432 Base-Backbone interact. energy: 0.815 local terms energy: -568.831503 where: bonds (distance) C4'-P energy: -93.484 bonds (distance) P-C4' energy: -113.441 flat angles C4'-P-C4' energy: -120.181 flat angles P-C4'-P energy: -88.229 tors. eta vs tors. theta energy: -153.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1771.609595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.609595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.609595 (E_RNA) where: Base-Base interactions energy: -1206.372 where: short stacking energy: -490.094 Base-Backbone interact. energy: -4.403 local terms energy: -560.834520 where: bonds (distance) C4'-P energy: -107.777 bonds (distance) P-C4' energy: -106.634 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -126.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1515.194491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.194491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.194491 (E_RNA) where: Base-Base interactions energy: -1032.589 where: short stacking energy: -441.977 Base-Backbone interact. energy: -0.768 local terms energy: -481.837351 where: bonds (distance) C4'-P energy: -98.488 bonds (distance) P-C4' energy: -105.496 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -69.791 tors. eta vs tors. theta energy: -109.262 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: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1421.338686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.338686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.338686 (E_RNA) where: Base-Base interactions energy: -940.845 where: short stacking energy: -402.480 Base-Backbone interact. energy: 0.724 local terms energy: -481.218521 where: bonds (distance) C4'-P energy: -90.052 bonds (distance) P-C4' energy: -102.810 flat angles C4'-P-C4' energy: -109.815 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -111.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1291.057156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.057156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.057156 (E_RNA) where: Base-Base interactions energy: -853.458 where: short stacking energy: -346.345 Base-Backbone interact. energy: 1.787 local terms energy: -439.386019 where: bonds (distance) C4'-P energy: -97.066 bonds (distance) P-C4' energy: -106.006 flat angles C4'-P-C4' energy: -96.183 flat angles P-C4'-P energy: -62.975 tors. eta vs tors. theta energy: -77.157 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: 4 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -873.019088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.019088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.019088 (E_RNA) where: Base-Base interactions energy: -530.373 where: short stacking energy: -247.283 Base-Backbone interact. energy: 4.305 local terms energy: -346.951426 where: bonds (distance) C4'-P energy: -86.594 bonds (distance) P-C4' energy: -90.871 flat angles C4'-P-C4' energy: -79.125 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -26.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -462.899182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.899182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.899182 (E_RNA) where: Base-Base interactions energy: -188.860 where: short stacking energy: -124.551 Base-Backbone interact. energy: -0.778 local terms energy: -273.261056 where: bonds (distance) C4'-P energy: -80.639 bonds (distance) P-C4' energy: -88.820 flat angles C4'-P-C4' energy: -78.893 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: 26.499 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: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2123.402283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.402283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.402283 (E_RNA) where: Base-Base interactions energy: -1474.570 where: short stacking energy: -607.405 Base-Backbone interact. energy: 0.012 local terms energy: -648.844970 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -122.411 flat angles C4'-P-C4' energy: -138.210 flat angles P-C4'-P energy: -90.001 tors. eta vs tors. theta energy: -183.069 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: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2053.637568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.637568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.637568 (E_RNA) where: Base-Base interactions energy: -1413.934 where: short stacking energy: -609.698 Base-Backbone interact. energy: -1.507 local terms energy: -638.197422 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -124.473 flat angles C4'-P-C4' energy: -130.844 flat angles P-C4'-P energy: -82.917 tors. eta vs tors. theta energy: -185.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1948.688124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.688124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.688124 (E_RNA) where: Base-Base interactions energy: -1350.020 where: short stacking energy: -559.858 Base-Backbone interact. energy: -3.989 local terms energy: -594.679545 where: bonds (distance) C4'-P energy: -107.986 bonds (distance) P-C4' energy: -121.950 flat angles C4'-P-C4' energy: -122.937 flat angles P-C4'-P energy: -85.121 tors. eta vs tors. theta energy: -156.685 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: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1832.649840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.649840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.649840 (E_RNA) where: Base-Base interactions energy: -1245.806 where: short stacking energy: -547.479 Base-Backbone interact. energy: -2.459 local terms energy: -584.385440 where: bonds (distance) C4'-P energy: -121.592 bonds (distance) P-C4' energy: -111.090 flat angles C4'-P-C4' energy: -114.626 flat angles P-C4'-P energy: -80.975 tors. eta vs tors. theta energy: -156.103 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: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1648.609048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.609048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.609048 (E_RNA) where: Base-Base interactions energy: -1106.009 where: short stacking energy: -461.845 Base-Backbone interact. energy: -2.602 local terms energy: -539.997465 where: bonds (distance) C4'-P energy: -109.158 bonds (distance) P-C4' energy: -113.408 flat angles C4'-P-C4' energy: -119.789 flat angles P-C4'-P energy: -78.424 tors. eta vs tors. theta energy: -119.219 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: 452 Temperature: 1.150000 Total energy: -1527.543795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.543795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.543795 (E_RNA) where: Base-Base interactions energy: -1016.513 where: short stacking energy: -463.867 Base-Backbone interact. energy: -3.591 local terms energy: -507.439982 where: bonds (distance) C4'-P energy: -107.874 bonds (distance) P-C4' energy: -101.979 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -69.567 tors. eta vs tors. theta energy: -116.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1503.478208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.478208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.478208 (E_RNA) where: Base-Base interactions energy: -973.720 where: short stacking energy: -425.571 Base-Backbone interact. energy: -2.598 local terms energy: -527.160256 where: bonds (distance) C4'-P energy: -111.607 bonds (distance) P-C4' energy: -108.316 flat angles C4'-P-C4' energy: -112.502 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -134.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1279.945651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.945651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.945651 (E_RNA) where: Base-Base interactions energy: -801.299 where: short stacking energy: -351.567 Base-Backbone interact. energy: -2.478 local terms energy: -476.168300 where: bonds (distance) C4'-P energy: -92.525 bonds (distance) P-C4' energy: -107.072 flat angles C4'-P-C4' energy: -105.629 flat angles P-C4'-P energy: -87.143 tors. eta vs tors. theta energy: -83.800 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: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -839.604030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.604030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.604030 (E_RNA) where: Base-Base interactions energy: -461.112 where: short stacking energy: -245.309 Base-Backbone interact. energy: 1.352 local terms energy: -379.843489 where: bonds (distance) C4'-P energy: -102.488 bonds (distance) P-C4' energy: -101.160 flat angles C4'-P-C4' energy: -81.208 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -42.118 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: 452 Temperature: 1.350000 Total energy: -475.000659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.000659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.000659 (E_RNA) where: Base-Base interactions energy: -198.704 where: short stacking energy: -144.438 Base-Backbone interact. energy: -3.466 local terms energy: -272.830469 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -83.040 flat angles C4'-P-C4' energy: -79.071 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: 18.960 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: 1, replica: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2124.248381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.248381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.248381 (E_RNA) where: Base-Base interactions energy: -1468.494 where: short stacking energy: -606.321 Base-Backbone interact. energy: 1.507 local terms energy: -657.261650 where: bonds (distance) C4'-P energy: -125.892 bonds (distance) P-C4' energy: -113.417 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -102.715 tors. eta vs tors. theta energy: -179.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2037.574697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.574697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.574697 (E_RNA) where: Base-Base interactions energy: -1427.325 where: short stacking energy: -610.353 Base-Backbone interact. energy: -3.624 local terms energy: -606.625148 where: bonds (distance) C4'-P energy: -99.170 bonds (distance) P-C4' energy: -120.293 flat angles C4'-P-C4' energy: -128.194 flat angles P-C4'-P energy: -85.248 tors. eta vs tors. theta energy: -173.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1938.471864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.471864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.471864 (E_RNA) where: Base-Base interactions energy: -1327.294 where: short stacking energy: -558.014 Base-Backbone interact. energy: -0.529 local terms energy: -610.648928 where: bonds (distance) C4'-P energy: -105.267 bonds (distance) P-C4' energy: -121.640 flat angles C4'-P-C4' energy: -124.414 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -175.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1871.555726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.555726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.555726 (E_RNA) where: Base-Base interactions energy: -1276.198 where: short stacking energy: -558.518 Base-Backbone interact. energy: -3.919 local terms energy: -591.439134 where: bonds (distance) C4'-P energy: -108.918 bonds (distance) P-C4' energy: -100.755 flat angles C4'-P-C4' energy: -131.809 flat angles P-C4'-P energy: -81.600 tors. eta vs tors. theta energy: -168.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1670.117380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.117380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.117380 (E_RNA) where: Base-Base interactions energy: -1137.148 where: short stacking energy: -467.922 Base-Backbone interact. energy: 0.029 local terms energy: -532.998341 where: bonds (distance) C4'-P energy: -99.552 bonds (distance) P-C4' energy: -99.378 flat angles C4'-P-C4' energy: -117.534 flat angles P-C4'-P energy: -87.369 tors. eta vs tors. theta energy: -129.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1559.859716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.859716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.859716 (E_RNA) where: Base-Base interactions energy: -1029.063 where: short stacking energy: -462.713 Base-Backbone interact. energy: -1.470 local terms energy: -529.326742 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -105.641 flat angles C4'-P-C4' energy: -116.442 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -121.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1421.810173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.810173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.810173 (E_RNA) where: Base-Base interactions energy: -926.921 where: short stacking energy: -407.962 Base-Backbone interact. energy: -1.422 local terms energy: -493.467848 where: bonds (distance) C4'-P energy: -96.922 bonds (distance) P-C4' energy: -104.131 flat angles C4'-P-C4' energy: -107.230 flat angles P-C4'-P energy: -79.933 tors. eta vs tors. theta energy: -105.253 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: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1186.905093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.905093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.905093 (E_RNA) where: Base-Base interactions energy: -742.004 where: short stacking energy: -355.179 Base-Backbone interact. energy: 2.529 local terms energy: -447.429705 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -112.532 flat angles C4'-P-C4' energy: -108.037 flat angles P-C4'-P energy: -59.493 tors. eta vs tors. theta energy: -73.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -854.198593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.198593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.198593 (E_RNA) where: Base-Base interactions energy: -483.131 where: short stacking energy: -224.370 Base-Backbone interact. energy: -2.539 local terms energy: -368.528216 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -97.678 flat angles C4'-P-C4' energy: -92.844 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -27.528 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: 453 Temperature: 1.350000 Total energy: -468.086211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.086211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.086211 (E_RNA) where: Base-Base interactions energy: -150.628 where: short stacking energy: -132.391 Base-Backbone interact. energy: -0.211 local terms energy: -317.247373 where: bonds (distance) C4'-P energy: -87.329 bonds (distance) P-C4' energy: -99.970 flat angles C4'-P-C4' energy: -88.337 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: 3.579 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: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2135.905508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.905508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.905508 (E_RNA) where: Base-Base interactions energy: -1479.222 where: short stacking energy: -608.868 Base-Backbone interact. energy: 3.921 local terms energy: -660.605168 where: bonds (distance) C4'-P energy: -120.030 bonds (distance) P-C4' energy: -129.983 flat angles C4'-P-C4' energy: -135.482 flat angles P-C4'-P energy: -86.284 tors. eta vs tors. theta energy: -188.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2022.360047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.360047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.360047 (E_RNA) where: Base-Base interactions energy: -1386.625 where: short stacking energy: -600.206 Base-Backbone interact. energy: -2.705 local terms energy: -633.029389 where: bonds (distance) C4'-P energy: -118.396 bonds (distance) P-C4' energy: -112.247 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -88.100 tors. eta vs tors. theta energy: -175.708 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: 5 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1978.491904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.491904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.491904 (E_RNA) where: Base-Base interactions energy: -1354.064 where: short stacking energy: -576.535 Base-Backbone interact. energy: -3.906 local terms energy: -620.522307 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -119.790 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -92.086 tors. eta vs tors. theta energy: -176.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1882.456328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.456328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.456328 (E_RNA) where: Base-Base interactions energy: -1271.395 where: short stacking energy: -523.044 Base-Backbone interact. energy: -4.344 local terms energy: -606.716832 where: bonds (distance) C4'-P energy: -112.069 bonds (distance) P-C4' energy: -113.223 flat angles C4'-P-C4' energy: -136.626 flat angles P-C4'-P energy: -87.000 tors. eta vs tors. theta energy: -157.797 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: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1683.847903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.847903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.847903 (E_RNA) where: Base-Base interactions energy: -1158.198 where: short stacking energy: -495.487 Base-Backbone interact. energy: -3.906 local terms energy: -521.744163 where: bonds (distance) C4'-P energy: -114.987 bonds (distance) P-C4' energy: -99.566 flat angles C4'-P-C4' energy: -113.569 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -132.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1535.653911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.653911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.653911 (E_RNA) where: Base-Base interactions energy: -1053.117 where: short stacking energy: -445.865 Base-Backbone interact. energy: 1.742 local terms energy: -484.278647 where: bonds (distance) C4'-P energy: -91.297 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -69.064 tors. eta vs tors. theta energy: -116.228 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: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1350.355734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.355734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.355734 (E_RNA) where: Base-Base interactions energy: -897.174 where: short stacking energy: -361.965 Base-Backbone interact. energy: 0.845 local terms energy: -454.027126 where: bonds (distance) C4'-P energy: -110.645 bonds (distance) P-C4' energy: -104.663 flat angles C4'-P-C4' energy: -107.800 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: -71.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1192.411828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.411828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.411828 (E_RNA) where: Base-Base interactions energy: -741.144 where: short stacking energy: -347.462 Base-Backbone interact. energy: 0.653 local terms energy: -451.921138 where: bonds (distance) C4'-P energy: -101.720 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -96.641 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -78.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -869.098361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.098361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.098361 (E_RNA) where: Base-Base interactions energy: -488.959 where: short stacking energy: -243.695 Base-Backbone interact. energy: -0.500 local terms energy: -379.639146 where: bonds (distance) C4'-P energy: -102.827 bonds (distance) P-C4' energy: -106.076 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -57.858 tors. eta vs tors. theta energy: -25.731 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: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -475.276669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.276669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.276669 (E_RNA) where: Base-Base interactions energy: -159.091 where: short stacking energy: -133.145 Base-Backbone interact. energy: -0.251 local terms energy: -315.934675 where: bonds (distance) C4'-P energy: -92.436 bonds (distance) P-C4' energy: -97.568 flat angles C4'-P-C4' energy: -95.080 flat angles P-C4'-P energy: -47.852 tors. eta vs tors. theta energy: 17.001 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: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2082.817792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.817792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.817792 (E_RNA) where: Base-Base interactions energy: -1435.689 where: short stacking energy: -605.353 Base-Backbone interact. energy: -8.328 local terms energy: -638.801152 where: bonds (distance) C4'-P energy: -109.976 bonds (distance) P-C4' energy: -121.706 flat angles C4'-P-C4' energy: -130.079 flat angles P-C4'-P energy: -97.075 tors. eta vs tors. theta energy: -179.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2011.022773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.022773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.022773 (E_RNA) where: Base-Base interactions energy: -1403.257 where: short stacking energy: -595.049 Base-Backbone interact. energy: -3.481 local terms energy: -604.284960 where: bonds (distance) C4'-P energy: -103.196 bonds (distance) P-C4' energy: -108.077 flat angles C4'-P-C4' energy: -119.700 flat angles P-C4'-P energy: -97.900 tors. eta vs tors. theta energy: -175.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1932.232235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.232235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.232235 (E_RNA) where: Base-Base interactions energy: -1330.371 where: short stacking energy: -562.743 Base-Backbone interact. energy: 0.073 local terms energy: -601.934423 where: bonds (distance) C4'-P energy: -113.159 bonds (distance) P-C4' energy: -111.744 flat angles C4'-P-C4' energy: -128.530 flat angles P-C4'-P energy: -83.591 tors. eta vs tors. theta energy: -164.911 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: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1927.575494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.575494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.575494 (E_RNA) where: Base-Base interactions energy: -1338.547 where: short stacking energy: -572.042 Base-Backbone interact. energy: -2.628 local terms energy: -586.400736 where: bonds (distance) C4'-P energy: -85.710 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -127.723 flat angles P-C4'-P energy: -78.771 tors. eta vs tors. theta energy: -177.640 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: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1712.553630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.553630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.553630 (E_RNA) where: Base-Base interactions energy: -1176.079 where: short stacking energy: -487.148 Base-Backbone interact. energy: -2.045 local terms energy: -534.429227 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -96.899 flat angles C4'-P-C4' energy: -109.846 flat angles P-C4'-P energy: -86.428 tors. eta vs tors. theta energy: -133.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1517.235324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.235324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.235324 (E_RNA) where: Base-Base interactions energy: -1005.843 where: short stacking energy: -430.061 Base-Backbone interact. energy: 5.937 local terms energy: -517.329187 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -106.057 flat angles C4'-P-C4' energy: -121.746 flat angles P-C4'-P energy: -81.475 tors. eta vs tors. theta energy: -101.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1367.365429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.365429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.365429 (E_RNA) where: Base-Base interactions energy: -897.522 where: short stacking energy: -399.494 Base-Backbone interact. energy: -0.043 local terms energy: -469.800938 where: bonds (distance) C4'-P energy: -92.599 bonds (distance) P-C4' energy: -113.147 flat angles C4'-P-C4' energy: -88.046 flat angles P-C4'-P energy: -80.042 tors. eta vs tors. theta energy: -95.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1143.628421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.628421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.628421 (E_RNA) where: Base-Base interactions energy: -702.210 where: short stacking energy: -340.687 Base-Backbone interact. energy: -0.221 local terms energy: -441.197640 where: bonds (distance) C4'-P energy: -100.219 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -102.253 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -74.781 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: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -848.795328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.795328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.795328 (E_RNA) where: Base-Base interactions energy: -481.207 where: short stacking energy: -250.677 Base-Backbone interact. energy: 3.768 local terms energy: -371.356189 where: bonds (distance) C4'-P energy: -105.159 bonds (distance) P-C4' energy: -105.155 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -60.171 tors. eta vs tors. theta energy: -22.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -458.655478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.655478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.655478 (E_RNA) where: Base-Base interactions energy: -142.438 where: short stacking energy: -117.220 Base-Backbone interact. energy: 2.802 local terms energy: -319.020012 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -103.523 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: 20.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2109.026679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.026679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.026679 (E_RNA) where: Base-Base interactions energy: -1462.649 where: short stacking energy: -627.297 Base-Backbone interact. energy: -0.351 local terms energy: -646.026768 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -118.992 flat angles C4'-P-C4' energy: -136.675 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -182.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1999.078485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.078485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.078485 (E_RNA) where: Base-Base interactions energy: -1389.923 where: short stacking energy: -585.174 Base-Backbone interact. energy: -1.833 local terms energy: -607.322047 where: bonds (distance) C4'-P energy: -103.195 bonds (distance) P-C4' energy: -110.397 flat angles C4'-P-C4' energy: -123.804 flat angles P-C4'-P energy: -89.852 tors. eta vs tors. theta energy: -180.074 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: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1959.627430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.627430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.627430 (E_RNA) where: Base-Base interactions energy: -1382.705 where: short stacking energy: -565.493 Base-Backbone interact. energy: -1.985 local terms energy: -574.937843 where: bonds (distance) C4'-P energy: -98.663 bonds (distance) P-C4' energy: -102.828 flat angles C4'-P-C4' energy: -128.829 flat angles P-C4'-P energy: -76.034 tors. eta vs tors. theta energy: -168.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1909.856818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.856818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.856818 (E_RNA) where: Base-Base interactions energy: -1303.368 where: short stacking energy: -567.335 Base-Backbone interact. energy: -0.435 local terms energy: -606.054223 where: bonds (distance) C4'-P energy: -120.633 bonds (distance) P-C4' energy: -111.584 flat angles C4'-P-C4' energy: -120.494 flat angles P-C4'-P energy: -88.161 tors. eta vs tors. theta energy: -165.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1714.598837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.598837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.598837 (E_RNA) where: Base-Base interactions energy: -1165.670 where: short stacking energy: -508.547 Base-Backbone interact. energy: -3.442 local terms energy: -545.486179 where: bonds (distance) C4'-P energy: -88.859 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -115.690 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -141.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1513.606934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.606934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.606934 (E_RNA) where: Base-Base interactions energy: -1038.803 where: short stacking energy: -431.349 Base-Backbone interact. energy: -0.662 local terms energy: -474.142047 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -86.360 flat angles C4'-P-C4' energy: -109.971 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -102.900 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: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1412.253307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.253307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.253307 (E_RNA) where: Base-Base interactions energy: -915.122 where: short stacking energy: -381.135 Base-Backbone interact. energy: -2.312 local terms energy: -494.819473 where: bonds (distance) C4'-P energy: -99.057 bonds (distance) P-C4' energy: -114.128 flat angles C4'-P-C4' energy: -117.796 flat angles P-C4'-P energy: -61.085 tors. eta vs tors. theta energy: -102.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1171.891207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.891207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.891207 (E_RNA) where: Base-Base interactions energy: -727.411 where: short stacking energy: -360.317 Base-Backbone interact. energy: -1.453 local terms energy: -443.026674 where: bonds (distance) C4'-P energy: -105.583 bonds (distance) P-C4' energy: -107.671 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -43.259 tors. eta vs tors. theta energy: -77.437 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: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -821.339055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.339055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.339055 (E_RNA) where: Base-Base interactions energy: -486.742 where: short stacking energy: -260.238 Base-Backbone interact. energy: -0.367 local terms energy: -334.229904 where: bonds (distance) C4'-P energy: -76.391 bonds (distance) P-C4' energy: -104.949 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -39.852 tors. eta vs tors. theta energy: -36.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -482.838084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.838084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.838084 (E_RNA) where: Base-Base interactions energy: -176.781 where: short stacking energy: -119.447 Base-Backbone interact. energy: -1.784 local terms energy: -304.273358 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -99.966 flat angles C4'-P-C4' energy: -79.080 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: 14.747 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: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2096.149647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.149647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.149647 (E_RNA) where: Base-Base interactions energy: -1449.095 where: short stacking energy: -601.703 Base-Backbone interact. energy: 0.093 local terms energy: -647.147841 where: bonds (distance) C4'-P energy: -115.526 bonds (distance) P-C4' energy: -128.403 flat angles C4'-P-C4' energy: -146.684 flat angles P-C4'-P energy: -83.580 tors. eta vs tors. theta energy: -172.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2023.722601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.722601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.722601 (E_RNA) where: Base-Base interactions energy: -1384.597 where: short stacking energy: -597.914 Base-Backbone interact. energy: 0.102 local terms energy: -639.227768 where: bonds (distance) C4'-P energy: -108.479 bonds (distance) P-C4' energy: -103.096 flat angles C4'-P-C4' energy: -138.839 flat angles P-C4'-P energy: -106.875 tors. eta vs tors. theta energy: -181.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1971.901123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.901123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.901123 (E_RNA) where: Base-Base interactions energy: -1338.473 where: short stacking energy: -563.705 Base-Backbone interact. energy: -1.781 local terms energy: -631.647344 where: bonds (distance) C4'-P energy: -125.892 bonds (distance) P-C4' energy: -127.918 flat angles C4'-P-C4' energy: -117.974 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: -167.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1857.745816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.745816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.745816 (E_RNA) where: Base-Base interactions energy: -1274.194 where: short stacking energy: -545.336 Base-Backbone interact. energy: -4.818 local terms energy: -578.733872 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -105.313 flat angles C4'-P-C4' energy: -133.639 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -163.055 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: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1750.506295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.506295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.506295 (E_RNA) where: Base-Base interactions energy: -1205.115 where: short stacking energy: -490.462 Base-Backbone interact. energy: -0.071 local terms energy: -545.320270 where: bonds (distance) C4'-P energy: -107.557 bonds (distance) P-C4' energy: -90.516 flat angles C4'-P-C4' energy: -123.841 flat angles P-C4'-P energy: -76.803 tors. eta vs tors. theta energy: -146.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1517.376853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.376853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.376853 (E_RNA) where: Base-Base interactions energy: -1032.901 where: short stacking energy: -451.163 Base-Backbone interact. energy: -1.254 local terms energy: -483.221926 where: bonds (distance) C4'-P energy: -100.975 bonds (distance) P-C4' energy: -99.207 flat angles C4'-P-C4' energy: -97.211 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: -110.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1420.903572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.903572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.903572 (E_RNA) where: Base-Base interactions energy: -937.178 where: short stacking energy: -390.956 Base-Backbone interact. energy: -1.816 local terms energy: -481.910189 where: bonds (distance) C4'-P energy: -91.885 bonds (distance) P-C4' energy: -107.428 flat angles C4'-P-C4' energy: -116.350 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -97.572 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1136.372825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.372825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.372825 (E_RNA) where: Base-Base interactions energy: -697.784 where: short stacking energy: -321.991 Base-Backbone interact. energy: 0.918 local terms energy: -439.506232 where: bonds (distance) C4'-P energy: -97.123 bonds (distance) P-C4' energy: -114.908 flat angles C4'-P-C4' energy: -95.299 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -63.858 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: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -824.344206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.344206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.344206 (E_RNA) where: Base-Base interactions energy: -449.996 where: short stacking energy: -240.597 Base-Backbone interact. energy: 4.678 local terms energy: -379.026071 where: bonds (distance) C4'-P energy: -96.741 bonds (distance) P-C4' energy: -103.994 flat angles C4'-P-C4' energy: -95.504 flat angles P-C4'-P energy: -51.342 tors. eta vs tors. theta energy: -31.446 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: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -493.737019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.737019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.737019 (E_RNA) where: Base-Base interactions energy: -186.632 where: short stacking energy: -162.683 Base-Backbone interact. energy: -1.890 local terms energy: -305.214911 where: bonds (distance) C4'-P energy: -83.063 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -87.083 flat angles P-C4'-P energy: -43.302 tors. eta vs tors. theta energy: 1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2095.561898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.561898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.561898 (E_RNA) where: Base-Base interactions energy: -1468.990 where: short stacking energy: -604.888 Base-Backbone interact. energy: -1.573 local terms energy: -624.999249 where: bonds (distance) C4'-P energy: -109.048 bonds (distance) P-C4' energy: -125.604 flat angles C4'-P-C4' energy: -119.575 flat angles P-C4'-P energy: -85.677 tors. eta vs tors. theta energy: -185.095 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: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2009.194364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.194364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.194364 (E_RNA) where: Base-Base interactions energy: -1385.893 where: short stacking energy: -612.384 Base-Backbone interact. energy: -1.934 local terms energy: -621.367359 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -117.648 flat angles C4'-P-C4' energy: -135.065 flat angles P-C4'-P energy: -90.865 tors. eta vs tors. theta energy: -164.493 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: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2039.442308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.442308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.442308 (E_RNA) where: Base-Base interactions energy: -1410.408 where: short stacking energy: -585.749 Base-Backbone interact. energy: -2.434 local terms energy: -626.599906 where: bonds (distance) C4'-P energy: -107.255 bonds (distance) P-C4' energy: -123.817 flat angles C4'-P-C4' energy: -126.163 flat angles P-C4'-P energy: -94.144 tors. eta vs tors. theta energy: -175.220 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: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1887.726135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.726135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.726135 (E_RNA) where: Base-Base interactions energy: -1260.277 where: short stacking energy: -520.881 Base-Backbone interact. energy: -1.324 local terms energy: -626.124749 where: bonds (distance) C4'-P energy: -112.004 bonds (distance) P-C4' energy: -114.639 flat angles C4'-P-C4' energy: -135.910 flat angles P-C4'-P energy: -86.524 tors. eta vs tors. theta energy: -177.047 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: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1745.839602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.839602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.839602 (E_RNA) where: Base-Base interactions energy: -1175.923 where: short stacking energy: -481.679 Base-Backbone interact. energy: 4.132 local terms energy: -574.048308 where: bonds (distance) C4'-P energy: -111.938 bonds (distance) P-C4' energy: -113.967 flat angles C4'-P-C4' energy: -123.594 flat angles P-C4'-P energy: -85.219 tors. eta vs tors. theta energy: -139.331 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: 458 Temperature: 1.150000 Total energy: -1555.723283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.723283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.723283 (E_RNA) where: Base-Base interactions energy: -1017.317 where: short stacking energy: -451.840 Base-Backbone interact. energy: -0.098 local terms energy: -538.307790 where: bonds (distance) C4'-P energy: -117.477 bonds (distance) P-C4' energy: -107.795 flat angles C4'-P-C4' energy: -119.312 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -123.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1442.393862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.393862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.393862 (E_RNA) where: Base-Base interactions energy: -956.672 where: short stacking energy: -394.305 Base-Backbone interact. energy: 2.547 local terms energy: -488.269365 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -90.244 flat angles C4'-P-C4' energy: -111.053 flat angles P-C4'-P energy: -66.753 tors. eta vs tors. theta energy: -106.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1119.220027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.220027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.220027 (E_RNA) where: Base-Base interactions energy: -718.537 where: short stacking energy: -336.004 Base-Backbone interact. energy: 0.886 local terms energy: -401.568988 where: bonds (distance) C4'-P energy: -102.729 bonds (distance) P-C4' energy: -100.798 flat angles C4'-P-C4' energy: -102.416 flat angles P-C4'-P energy: -48.378 tors. eta vs tors. theta energy: -47.247 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: 9, replica: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -810.818747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.818747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.818747 (E_RNA) where: Base-Base interactions energy: -452.220 where: short stacking energy: -219.027 Base-Backbone interact. energy: -3.107 local terms energy: -355.491330 where: bonds (distance) C4'-P energy: -90.352 bonds (distance) P-C4' energy: -108.464 flat angles C4'-P-C4' energy: -99.462 flat angles P-C4'-P energy: -56.412 tors. eta vs tors. theta energy: -0.801 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: 458 Temperature: 1.350000 Total energy: -530.388994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.388994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.388994 (E_RNA) where: Base-Base interactions energy: -216.392 where: short stacking energy: -162.878 Base-Backbone interact. energy: 0.930 local terms energy: -314.927251 where: bonds (distance) C4'-P energy: -99.639 bonds (distance) P-C4' energy: -102.863 flat angles C4'-P-C4' energy: -75.147 flat angles P-C4'-P energy: -49.224 tors. eta vs tors. theta energy: 11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2112.722779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.722779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.722779 (E_RNA) where: Base-Base interactions energy: -1448.096 where: short stacking energy: -606.816 Base-Backbone interact. energy: -1.061 local terms energy: -663.565793 where: bonds (distance) C4'-P energy: -128.545 bonds (distance) P-C4' energy: -125.267 flat angles C4'-P-C4' energy: -140.197 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -185.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2047.273301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.273301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.273301 (E_RNA) where: Base-Base interactions energy: -1414.211 where: short stacking energy: -575.819 Base-Backbone interact. energy: -1.622 local terms energy: -631.440353 where: bonds (distance) C4'-P energy: -110.167 bonds (distance) P-C4' energy: -113.281 flat angles C4'-P-C4' energy: -131.995 flat angles P-C4'-P energy: -97.187 tors. eta vs tors. theta energy: -178.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1920.663093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.663093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.663093 (E_RNA) where: Base-Base interactions energy: -1351.604 where: short stacking energy: -571.954 Base-Backbone interact. energy: -0.638 local terms energy: -568.421335 where: bonds (distance) C4'-P energy: -100.023 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -128.477 flat angles P-C4'-P energy: -85.988 tors. eta vs tors. theta energy: -155.702 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: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1905.841093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.841093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.841093 (E_RNA) where: Base-Base interactions energy: -1330.749 where: short stacking energy: -574.868 Base-Backbone interact. energy: -3.472 local terms energy: -571.619970 where: bonds (distance) C4'-P energy: -103.304 bonds (distance) P-C4' energy: -100.979 flat angles C4'-P-C4' energy: -121.180 flat angles P-C4'-P energy: -81.005 tors. eta vs tors. theta energy: -165.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1759.563029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.563029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.563029 (E_RNA) where: Base-Base interactions energy: -1205.989 where: short stacking energy: -502.703 Base-Backbone interact. energy: -4.414 local terms energy: -549.160354 where: bonds (distance) C4'-P energy: -120.009 bonds (distance) P-C4' energy: -96.612 flat angles C4'-P-C4' energy: -111.167 flat angles P-C4'-P energy: -81.128 tors. eta vs tors. theta energy: -140.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1595.768429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.768429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.768429 (E_RNA) where: Base-Base interactions energy: -1073.777 where: short stacking energy: -477.374 Base-Backbone interact. energy: 0.413 local terms energy: -522.404192 where: bonds (distance) C4'-P energy: -94.077 bonds (distance) P-C4' energy: -100.693 flat angles C4'-P-C4' energy: -120.679 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -135.093 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: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1444.361281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.361281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.361281 (E_RNA) where: Base-Base interactions energy: -950.502 where: short stacking energy: -405.843 Base-Backbone interact. energy: -2.302 local terms energy: -491.557114 where: bonds (distance) C4'-P energy: -108.660 bonds (distance) P-C4' energy: -101.072 flat angles C4'-P-C4' energy: -108.668 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -109.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1070.414944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.414944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.414944 (E_RNA) where: Base-Base interactions energy: -703.268 where: short stacking energy: -359.213 Base-Backbone interact. energy: 0.079 local terms energy: -367.226636 where: bonds (distance) C4'-P energy: -91.882 bonds (distance) P-C4' energy: -71.282 flat angles C4'-P-C4' energy: -82.960 flat angles P-C4'-P energy: -69.601 tors. eta vs tors. theta energy: -51.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -846.611155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.611155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.611155 (E_RNA) where: Base-Base interactions energy: -470.310 where: short stacking energy: -229.617 Base-Backbone interact. energy: 2.455 local terms energy: -378.756104 where: bonds (distance) C4'-P energy: -101.188 bonds (distance) P-C4' energy: -110.769 flat angles C4'-P-C4' energy: -98.832 flat angles P-C4'-P energy: -64.119 tors. eta vs tors. theta energy: -3.848 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: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -555.445256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.445256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.445256 (E_RNA) where: Base-Base interactions energy: -238.071 where: short stacking energy: -150.237 Base-Backbone interact. energy: 3.951 local terms energy: -321.325231 where: bonds (distance) C4'-P energy: -100.951 bonds (distance) P-C4' energy: -99.376 flat angles C4'-P-C4' energy: -94.776 flat angles P-C4'-P energy: -44.900 tors. eta vs tors. theta energy: 18.678 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: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2085.775676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.775676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.775676 (E_RNA) where: Base-Base interactions energy: -1435.048 where: short stacking energy: -607.052 Base-Backbone interact. energy: -1.959 local terms energy: -648.769032 where: bonds (distance) C4'-P energy: -121.762 bonds (distance) P-C4' energy: -127.384 flat angles C4'-P-C4' energy: -137.393 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -180.189 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: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2045.908258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.908258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.908258 (E_RNA) where: Base-Base interactions energy: -1417.142 where: short stacking energy: -585.671 Base-Backbone interact. energy: -4.620 local terms energy: -624.146059 where: bonds (distance) C4'-P energy: -120.748 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -123.989 flat angles P-C4'-P energy: -91.960 tors. eta vs tors. theta energy: -178.804 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: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1931.882509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.882509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.882509 (E_RNA) where: Base-Base interactions energy: -1330.752 where: short stacking energy: -585.997 Base-Backbone interact. energy: -2.563 local terms energy: -598.567675 where: bonds (distance) C4'-P energy: -109.770 bonds (distance) P-C4' energy: -111.768 flat angles C4'-P-C4' energy: -132.031 flat angles P-C4'-P energy: -81.435 tors. eta vs tors. theta energy: -163.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1886.842350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.842350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.842350 (E_RNA) where: Base-Base interactions energy: -1276.736 where: short stacking energy: -559.617 Base-Backbone interact. energy: -3.558 local terms energy: -606.547654 where: bonds (distance) C4'-P energy: -112.835 bonds (distance) P-C4' energy: -112.804 flat angles C4'-P-C4' energy: -123.442 flat angles P-C4'-P energy: -78.780 tors. eta vs tors. theta energy: -178.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1796.804253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.804253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.804253 (E_RNA) where: Base-Base interactions energy: -1245.048 where: short stacking energy: -525.036 Base-Backbone interact. energy: 4.390 local terms energy: -556.145556 where: bonds (distance) C4'-P energy: -92.539 bonds (distance) P-C4' energy: -110.084 flat angles C4'-P-C4' energy: -126.375 flat angles P-C4'-P energy: -85.215 tors. eta vs tors. theta energy: -141.933 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: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1562.617171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.617171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.617171 (E_RNA) where: Base-Base interactions energy: -1053.798 where: short stacking energy: -469.739 Base-Backbone interact. energy: -2.856 local terms energy: -505.964040 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -103.440 flat angles C4'-P-C4' energy: -110.645 flat angles P-C4'-P energy: -78.390 tors. eta vs tors. theta energy: -120.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1433.441498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.441498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.441498 (E_RNA) where: Base-Base interactions energy: -940.206 where: short stacking energy: -371.715 Base-Backbone interact. energy: -1.596 local terms energy: -491.639872 where: bonds (distance) C4'-P energy: -116.812 bonds (distance) P-C4' energy: -92.655 flat angles C4'-P-C4' energy: -118.880 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -96.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1088.142478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.142478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.142478 (E_RNA) where: Base-Base interactions energy: -722.603 where: short stacking energy: -328.032 Base-Backbone interact. energy: -2.740 local terms energy: -362.799240 where: bonds (distance) C4'-P energy: -69.641 bonds (distance) P-C4' energy: -85.293 flat angles C4'-P-C4' energy: -75.623 flat angles P-C4'-P energy: -73.521 tors. eta vs tors. theta energy: -58.723 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: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -908.744787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.744787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.744787 (E_RNA) where: Base-Base interactions energy: -530.100 where: short stacking energy: -287.734 Base-Backbone interact. energy: -0.337 local terms energy: -378.307759 where: bonds (distance) C4'-P energy: -87.397 bonds (distance) P-C4' energy: -99.787 flat angles C4'-P-C4' energy: -103.100 flat angles P-C4'-P energy: -37.728 tors. eta vs tors. theta energy: -50.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -512.225145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.225145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.225145 (E_RNA) where: Base-Base interactions energy: -204.383 where: short stacking energy: -130.313 Base-Backbone interact. energy: -2.061 local terms energy: -305.780943 where: bonds (distance) C4'-P energy: -92.546 bonds (distance) P-C4' energy: -113.085 flat angles C4'-P-C4' energy: -88.515 flat angles P-C4'-P energy: -29.005 tors. eta vs tors. theta energy: 17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2089.348223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.348223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.348223 (E_RNA) where: Base-Base interactions energy: -1443.137 where: short stacking energy: -603.855 Base-Backbone interact. energy: -2.483 local terms energy: -643.728378 where: bonds (distance) C4'-P energy: -100.059 bonds (distance) P-C4' energy: -126.911 flat angles C4'-P-C4' energy: -149.745 flat angles P-C4'-P energy: -91.184 tors. eta vs tors. theta energy: -175.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2049.138223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.138223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.138223 (E_RNA) where: Base-Base interactions energy: -1413.599 where: short stacking energy: -596.649 Base-Backbone interact. energy: -1.393 local terms energy: -634.146987 where: bonds (distance) C4'-P energy: -114.207 bonds (distance) P-C4' energy: -118.124 flat angles C4'-P-C4' energy: -138.393 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -185.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1953.649508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.649508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.649508 (E_RNA) where: Base-Base interactions energy: -1339.873 where: short stacking energy: -582.335 Base-Backbone interact. energy: -3.580 local terms energy: -610.195929 where: bonds (distance) C4'-P energy: -111.756 bonds (distance) P-C4' energy: -128.512 flat angles C4'-P-C4' energy: -115.256 flat angles P-C4'-P energy: -80.217 tors. eta vs tors. theta energy: -174.455 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: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1912.173735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.173735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.173735 (E_RNA) where: Base-Base interactions energy: -1275.179 where: short stacking energy: -578.360 Base-Backbone interact. energy: -0.971 local terms energy: -636.023960 where: bonds (distance) C4'-P energy: -122.616 bonds (distance) P-C4' energy: -111.428 flat angles C4'-P-C4' energy: -132.703 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -177.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1803.852973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.852973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.852973 (E_RNA) where: Base-Base interactions energy: -1228.339 where: short stacking energy: -507.944 Base-Backbone interact. energy: -3.541 local terms energy: -571.972263 where: bonds (distance) C4'-P energy: -118.955 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -110.197 flat angles P-C4'-P energy: -81.172 tors. eta vs tors. theta energy: -153.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1589.258394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.258394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.258394 (E_RNA) where: Base-Base interactions energy: -1071.434 where: short stacking energy: -461.160 Base-Backbone interact. energy: 0.283 local terms energy: -518.107740 where: bonds (distance) C4'-P energy: -97.679 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -117.539 flat angles P-C4'-P energy: -66.979 tors. eta vs tors. theta energy: -126.209 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: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1403.284487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.284487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.284487 (E_RNA) where: Base-Base interactions energy: -940.347 where: short stacking energy: -397.151 Base-Backbone interact. energy: 1.955 local terms energy: -464.892304 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -101.837 flat angles C4'-P-C4' energy: -105.742 flat angles P-C4'-P energy: -64.121 tors. eta vs tors. theta energy: -105.751 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: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1136.189000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.189000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.189000 (E_RNA) where: Base-Base interactions energy: -692.380 where: short stacking energy: -318.025 Base-Backbone interact. energy: -1.357 local terms energy: -442.452229 where: bonds (distance) C4'-P energy: -109.020 bonds (distance) P-C4' energy: -98.422 flat angles C4'-P-C4' energy: -108.797 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -71.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -940.220024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.220024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.220024 (E_RNA) where: Base-Base interactions energy: -550.886 where: short stacking energy: -256.475 Base-Backbone interact. energy: -2.396 local terms energy: -386.938317 where: bonds (distance) C4'-P energy: -94.266 bonds (distance) P-C4' energy: -100.763 flat angles C4'-P-C4' energy: -86.869 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: -37.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -556.086312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.086312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.086312 (E_RNA) where: Base-Base interactions energy: -240.257 where: short stacking energy: -161.756 Base-Backbone interact. energy: -1.776 local terms energy: -314.053521 where: bonds (distance) C4'-P energy: -83.119 bonds (distance) P-C4' energy: -102.745 flat angles C4'-P-C4' energy: -85.086 flat angles P-C4'-P energy: -52.075 tors. eta vs tors. theta energy: 8.972 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: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2092.242997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.242997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.242997 (E_RNA) where: Base-Base interactions energy: -1451.007 where: short stacking energy: -580.206 Base-Backbone interact. energy: -1.070 local terms energy: -640.165665 where: bonds (distance) C4'-P energy: -107.909 bonds (distance) P-C4' energy: -127.789 flat angles C4'-P-C4' energy: -140.274 flat angles P-C4'-P energy: -87.464 tors. eta vs tors. theta energy: -176.729 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: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2045.881939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.881939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.881939 (E_RNA) where: Base-Base interactions energy: -1444.675 where: short stacking energy: -581.035 Base-Backbone interact. energy: -3.714 local terms energy: -597.492628 where: bonds (distance) C4'-P energy: -99.372 bonds (distance) P-C4' energy: -108.777 flat angles C4'-P-C4' energy: -131.279 flat angles P-C4'-P energy: -79.492 tors. eta vs tors. theta energy: -178.572 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: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1963.753691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.753691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.753691 (E_RNA) where: Base-Base interactions energy: -1343.414 where: short stacking energy: -565.504 Base-Backbone interact. energy: -0.291 local terms energy: -620.048588 where: bonds (distance) C4'-P energy: -131.445 bonds (distance) P-C4' energy: -97.976 flat angles C4'-P-C4' energy: -123.726 flat angles P-C4'-P energy: -87.545 tors. eta vs tors. theta energy: -179.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1912.247734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.247734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.247734 (E_RNA) where: Base-Base interactions energy: -1304.169 where: short stacking energy: -571.440 Base-Backbone interact. energy: 1.927 local terms energy: -610.006320 where: bonds (distance) C4'-P energy: -111.169 bonds (distance) P-C4' energy: -113.369 flat angles C4'-P-C4' energy: -126.080 flat angles P-C4'-P energy: -72.665 tors. eta vs tors. theta energy: -186.723 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: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1779.122450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.122450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.122450 (E_RNA) where: Base-Base interactions energy: -1231.463 where: short stacking energy: -493.529 Base-Backbone interact. energy: 7.683 local terms energy: -555.342623 where: bonds (distance) C4'-P energy: -105.130 bonds (distance) P-C4' energy: -97.961 flat angles C4'-P-C4' energy: -113.611 flat angles P-C4'-P energy: -84.356 tors. eta vs tors. theta energy: -154.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1545.143937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.143937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.143937 (E_RNA) where: Base-Base interactions energy: -1049.244 where: short stacking energy: -436.508 Base-Backbone interact. energy: 0.195 local terms energy: -496.095341 where: bonds (distance) C4'-P energy: -106.718 bonds (distance) P-C4' energy: -108.492 flat angles C4'-P-C4' energy: -106.968 flat angles P-C4'-P energy: -57.421 tors. eta vs tors. theta energy: -116.497 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: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1401.026244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.026244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.026244 (E_RNA) where: Base-Base interactions energy: -917.635 where: short stacking energy: -385.922 Base-Backbone interact. energy: -1.605 local terms energy: -481.785552 where: bonds (distance) C4'-P energy: -102.643 bonds (distance) P-C4' energy: -107.203 flat angles C4'-P-C4' energy: -104.754 flat angles P-C4'-P energy: -72.971 tors. eta vs tors. theta energy: -94.214 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: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1153.237296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.237296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.237296 (E_RNA) where: Base-Base interactions energy: -722.865 where: short stacking energy: -315.766 Base-Backbone interact. energy: -2.777 local terms energy: -427.595525 where: bonds (distance) C4'-P energy: -92.381 bonds (distance) P-C4' energy: -95.272 flat angles C4'-P-C4' energy: -104.067 flat angles P-C4'-P energy: -75.162 tors. eta vs tors. theta energy: -60.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -997.522659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.522659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.522659 (E_RNA) where: Base-Base interactions energy: -604.556 where: short stacking energy: -262.889 Base-Backbone interact. energy: -1.681 local terms energy: -391.286106 where: bonds (distance) C4'-P energy: -101.623 bonds (distance) P-C4' energy: -97.251 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: -33.516 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: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -581.073815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.073815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.073815 (E_RNA) where: Base-Base interactions energy: -227.273 where: short stacking energy: -157.607 Base-Backbone interact. energy: 1.269 local terms energy: -355.069579 where: bonds (distance) C4'-P energy: -92.325 bonds (distance) P-C4' energy: -100.264 flat angles C4'-P-C4' energy: -91.313 flat angles P-C4'-P energy: -62.303 tors. eta vs tors. theta energy: -8.864 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: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2101.655335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.655335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.655335 (E_RNA) where: Base-Base interactions energy: -1483.684 where: short stacking energy: -604.771 Base-Backbone interact. energy: -3.056 local terms energy: -614.915846 where: bonds (distance) C4'-P energy: -110.410 bonds (distance) P-C4' energy: -110.005 flat angles C4'-P-C4' energy: -133.831 flat angles P-C4'-P energy: -85.813 tors. eta vs tors. theta energy: -174.857 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: 2 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2035.464556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.464556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.464556 (E_RNA) where: Base-Base interactions energy: -1415.204 where: short stacking energy: -587.322 Base-Backbone interact. energy: -1.461 local terms energy: -618.799880 where: bonds (distance) C4'-P energy: -101.556 bonds (distance) P-C4' energy: -120.933 flat angles C4'-P-C4' energy: -131.846 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -172.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1944.328728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.328728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.328728 (E_RNA) where: Base-Base interactions energy: -1356.878 where: short stacking energy: -577.211 Base-Backbone interact. energy: -1.712 local terms energy: -585.739370 where: bonds (distance) C4'-P energy: -113.959 bonds (distance) P-C4' energy: -104.604 flat angles C4'-P-C4' energy: -122.842 flat angles P-C4'-P energy: -80.355 tors. eta vs tors. theta energy: -163.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1928.936037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.936037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.936037 (E_RNA) where: Base-Base interactions energy: -1321.264 where: short stacking energy: -564.588 Base-Backbone interact. energy: -1.280 local terms energy: -606.392920 where: bonds (distance) C4'-P energy: -115.627 bonds (distance) P-C4' energy: -105.216 flat angles C4'-P-C4' energy: -129.967 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -181.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1725.744491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.744491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.744491 (E_RNA) where: Base-Base interactions energy: -1172.098 where: short stacking energy: -489.135 Base-Backbone interact. energy: 0.744 local terms energy: -554.390181 where: bonds (distance) C4'-P energy: -92.943 bonds (distance) P-C4' energy: -118.083 flat angles C4'-P-C4' energy: -112.879 flat angles P-C4'-P energy: -75.621 tors. eta vs tors. theta energy: -154.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1559.358712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.358712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.358712 (E_RNA) where: Base-Base interactions energy: -1026.664 where: short stacking energy: -456.221 Base-Backbone interact. energy: 1.449 local terms energy: -534.143253 where: bonds (distance) C4'-P energy: -99.423 bonds (distance) P-C4' energy: -94.664 flat angles C4'-P-C4' energy: -125.639 flat angles P-C4'-P energy: -83.919 tors. eta vs tors. theta energy: -130.498 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: 463 Temperature: 1.200000 Total energy: -1371.952946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.952946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.952946 (E_RNA) where: Base-Base interactions energy: -914.813 where: short stacking energy: -420.422 Base-Backbone interact. energy: -1.842 local terms energy: -455.297989 where: bonds (distance) C4'-P energy: -92.264 bonds (distance) P-C4' energy: -100.109 flat angles C4'-P-C4' energy: -122.505 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -93.339 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: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1134.192247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.192247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.192247 (E_RNA) where: Base-Base interactions energy: -714.544 where: short stacking energy: -317.452 Base-Backbone interact. energy: 1.003 local terms energy: -420.651003 where: bonds (distance) C4'-P energy: -84.166 bonds (distance) P-C4' energy: -102.125 flat angles C4'-P-C4' energy: -91.486 flat angles P-C4'-P energy: -75.088 tors. eta vs tors. theta energy: -67.786 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: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1038.114173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.114173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.114173 (E_RNA) where: Base-Base interactions energy: -660.610 where: short stacking energy: -310.365 Base-Backbone interact. energy: -1.364 local terms energy: -376.140163 where: bonds (distance) C4'-P energy: -68.920 bonds (distance) P-C4' energy: -97.774 flat angles C4'-P-C4' energy: -108.046 flat angles P-C4'-P energy: -46.333 tors. eta vs tors. theta energy: -55.068 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: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -570.460542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.460542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.460542 (E_RNA) where: Base-Base interactions energy: -246.079 where: short stacking energy: -166.706 Base-Backbone interact. energy: 6.412 local terms energy: -330.793179 where: bonds (distance) C4'-P energy: -87.804 bonds (distance) P-C4' energy: -95.941 flat angles C4'-P-C4' energy: -87.015 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -0.301 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: 464 Temperature: 0.900000 Total energy: -2109.186033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.186033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.186033 (E_RNA) where: Base-Base interactions energy: -1462.538 where: short stacking energy: -631.996 Base-Backbone interact. energy: -3.194 local terms energy: -643.453803 where: bonds (distance) C4'-P energy: -107.166 bonds (distance) P-C4' energy: -116.630 flat angles C4'-P-C4' energy: -136.209 flat angles P-C4'-P energy: -95.399 tors. eta vs tors. theta energy: -188.050 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: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2037.746690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.746690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.746690 (E_RNA) where: Base-Base interactions energy: -1417.650 where: short stacking energy: -589.537 Base-Backbone interact. energy: -0.799 local terms energy: -619.297624 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -118.319 flat angles C4'-P-C4' energy: -140.714 flat angles P-C4'-P energy: -79.603 tors. eta vs tors. theta energy: -169.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1954.936088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.936088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.936088 (E_RNA) where: Base-Base interactions energy: -1348.028 where: short stacking energy: -571.526 Base-Backbone interact. energy: -2.748 local terms energy: -604.159739 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -116.072 flat angles C4'-P-C4' energy: -132.952 flat angles P-C4'-P energy: -77.242 tors. eta vs tors. theta energy: -177.366 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1908.765428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.765428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.765428 (E_RNA) where: Base-Base interactions energy: -1323.227 where: short stacking energy: -549.072 Base-Backbone interact. energy: -2.667 local terms energy: -582.870550 where: bonds (distance) C4'-P energy: -121.933 bonds (distance) P-C4' energy: -117.699 flat angles C4'-P-C4' energy: -97.411 flat angles P-C4'-P energy: -83.128 tors. eta vs tors. theta energy: -162.700 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: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1711.257371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.257371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.257371 (E_RNA) where: Base-Base interactions energy: -1151.758 where: short stacking energy: -468.565 Base-Backbone interact. energy: 2.774 local terms energy: -562.273519 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -119.749 flat angles C4'-P-C4' energy: -130.370 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -129.706 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: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1570.667475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.667475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.667475 (E_RNA) where: Base-Base interactions energy: -1052.598 where: short stacking energy: -468.541 Base-Backbone interact. energy: -2.348 local terms energy: -515.720903 where: bonds (distance) C4'-P energy: -97.203 bonds (distance) P-C4' energy: -93.640 flat angles C4'-P-C4' energy: -120.888 flat angles P-C4'-P energy: -65.042 tors. eta vs tors. theta energy: -138.948 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: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1315.109972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.109972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.109972 (E_RNA) where: Base-Base interactions energy: -857.392 where: short stacking energy: -363.719 Base-Backbone interact. energy: 2.369 local terms energy: -460.087057 where: bonds (distance) C4'-P energy: -102.717 bonds (distance) P-C4' energy: -115.053 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -68.068 tors. eta vs tors. theta energy: -72.221 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1133.909737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.909737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.909737 (E_RNA) where: Base-Base interactions energy: -725.750 where: short stacking energy: -318.899 Base-Backbone interact. energy: 8.637 local terms energy: -416.797249 where: bonds (distance) C4'-P energy: -108.909 bonds (distance) P-C4' energy: -98.378 flat angles C4'-P-C4' energy: -93.290 flat angles P-C4'-P energy: -52.954 tors. eta vs tors. theta energy: -63.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1047.913075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.913075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.913075 (E_RNA) where: Base-Base interactions energy: -647.107 where: short stacking energy: -324.063 Base-Backbone interact. energy: 3.792 local terms energy: -404.598259 where: bonds (distance) C4'-P energy: -83.052 bonds (distance) P-C4' energy: -103.365 flat angles C4'-P-C4' energy: -101.439 flat angles P-C4'-P energy: -59.610 tors. eta vs tors. theta energy: -57.133 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: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -546.589375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.589375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.589375 (E_RNA) where: Base-Base interactions energy: -233.580 where: short stacking energy: -136.403 Base-Backbone interact. energy: 0.220 local terms energy: -313.229031 where: bonds (distance) C4'-P energy: -101.891 bonds (distance) P-C4' energy: -82.596 flat angles C4'-P-C4' energy: -81.208 flat angles P-C4'-P energy: -55.851 tors. eta vs tors. theta energy: 8.318 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: 465 Temperature: 0.900000 Total energy: -2069.533052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.533052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.533052 (E_RNA) where: Base-Base interactions energy: -1431.164 where: short stacking energy: -620.088 Base-Backbone interact. energy: -0.957 local terms energy: -637.412645 where: bonds (distance) C4'-P energy: -110.659 bonds (distance) P-C4' energy: -114.749 flat angles C4'-P-C4' energy: -138.108 flat angles P-C4'-P energy: -92.374 tors. eta vs tors. theta energy: -181.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2016.655802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.655802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.655802 (E_RNA) where: Base-Base interactions energy: -1396.642 where: short stacking energy: -584.576 Base-Backbone interact. energy: -1.709 local terms energy: -618.304088 where: bonds (distance) C4'-P energy: -131.562 bonds (distance) P-C4' energy: -118.388 flat angles C4'-P-C4' energy: -126.309 flat angles P-C4'-P energy: -69.393 tors. eta vs tors. theta energy: -172.652 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: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1981.510642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.510642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.510642 (E_RNA) where: Base-Base interactions energy: -1347.824 where: short stacking energy: -591.548 Base-Backbone interact. energy: 0.577 local terms energy: -634.263944 where: bonds (distance) C4'-P energy: -108.981 bonds (distance) P-C4' energy: -119.819 flat angles C4'-P-C4' energy: -127.712 flat angles P-C4'-P energy: -92.017 tors. eta vs tors. theta energy: -185.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1892.370644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.370644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.370644 (E_RNA) where: Base-Base interactions energy: -1338.400 where: short stacking energy: -548.494 Base-Backbone interact. energy: -2.386 local terms energy: -551.584289 where: bonds (distance) C4'-P energy: -99.174 bonds (distance) P-C4' energy: -105.648 flat angles C4'-P-C4' energy: -117.513 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -153.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1761.715885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.715885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.715885 (E_RNA) where: Base-Base interactions energy: -1209.139 where: short stacking energy: -503.965 Base-Backbone interact. energy: -0.840 local terms energy: -551.736780 where: bonds (distance) C4'-P energy: -91.590 bonds (distance) P-C4' energy: -115.133 flat angles C4'-P-C4' energy: -119.357 flat angles P-C4'-P energy: -73.017 tors. eta vs tors. theta energy: -152.640 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: 465 Temperature: 1.150000 Total energy: -1584.403094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.403094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.403094 (E_RNA) where: Base-Base interactions energy: -1060.174 where: short stacking energy: -477.884 Base-Backbone interact. energy: -0.342 local terms energy: -523.887658 where: bonds (distance) C4'-P energy: -106.162 bonds (distance) P-C4' energy: -109.635 flat angles C4'-P-C4' energy: -120.446 flat angles P-C4'-P energy: -62.934 tors. eta vs tors. theta energy: -124.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1319.335796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.335796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.335796 (E_RNA) where: Base-Base interactions energy: -834.482 where: short stacking energy: -360.776 Base-Backbone interact. energy: -1.667 local terms energy: -483.186764 where: bonds (distance) C4'-P energy: -115.051 bonds (distance) P-C4' energy: -113.963 flat angles C4'-P-C4' energy: -96.372 flat angles P-C4'-P energy: -72.170 tors. eta vs tors. theta energy: -85.631 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: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1116.618604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.618604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.618604 (E_RNA) where: Base-Base interactions energy: -720.094 where: short stacking energy: -344.846 Base-Backbone interact. energy: 2.902 local terms energy: -399.427430 where: bonds (distance) C4'-P energy: -90.160 bonds (distance) P-C4' energy: -97.554 flat angles C4'-P-C4' energy: -86.967 flat angles P-C4'-P energy: -51.697 tors. eta vs tors. theta energy: -73.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1068.583838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.583838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.583838 (E_RNA) where: Base-Base interactions energy: -632.570 where: short stacking energy: -293.563 Base-Backbone interact. energy: 1.938 local terms energy: -437.952021 where: bonds (distance) C4'-P energy: -114.850 bonds (distance) P-C4' energy: -103.831 flat angles C4'-P-C4' energy: -110.531 flat angles P-C4'-P energy: -58.486 tors. eta vs tors. theta energy: -50.253 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: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -528.669770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.669770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.669770 (E_RNA) where: Base-Base interactions energy: -213.785 where: short stacking energy: -133.781 Base-Backbone interact. energy: -1.577 local terms energy: -313.308356 where: bonds (distance) C4'-P energy: -83.352 bonds (distance) P-C4' energy: -120.126 flat angles C4'-P-C4' energy: -85.125 flat angles P-C4'-P energy: -25.147 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2064.265822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.265822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.265822 (E_RNA) where: Base-Base interactions energy: -1418.794 where: short stacking energy: -606.009 Base-Backbone interact. energy: -2.342 local terms energy: -643.129836 where: bonds (distance) C4'-P energy: -120.359 bonds (distance) P-C4' energy: -114.069 flat angles C4'-P-C4' energy: -127.934 flat angles P-C4'-P energy: -95.163 tors. eta vs tors. theta energy: -185.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2019.189567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.189567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.189567 (E_RNA) where: Base-Base interactions energy: -1396.415 where: short stacking energy: -581.778 Base-Backbone interact. energy: -2.681 local terms energy: -620.094054 where: bonds (distance) C4'-P energy: -110.255 bonds (distance) P-C4' energy: -122.671 flat angles C4'-P-C4' energy: -127.556 flat angles P-C4'-P energy: -82.021 tors. eta vs tors. theta energy: -177.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1997.722437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.722437 (E_RNA) where: Base-Base interactions energy: -1349.976 where: short stacking energy: -621.054 Base-Backbone interact. energy: 1.072 local terms energy: -648.818294 where: bonds (distance) C4'-P energy: -108.189 bonds (distance) P-C4' energy: -123.135 flat angles C4'-P-C4' energy: -140.055 flat angles P-C4'-P energy: -82.533 tors. eta vs tors. theta energy: -194.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1908.792979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.792979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.792979 (E_RNA) where: Base-Base interactions energy: -1325.432 where: short stacking energy: -551.192 Base-Backbone interact. energy: -1.488 local terms energy: -581.872869 where: bonds (distance) C4'-P energy: -116.706 bonds (distance) P-C4' energy: -106.350 flat angles C4'-P-C4' energy: -124.744 flat angles P-C4'-P energy: -74.511 tors. eta vs tors. theta energy: -159.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1741.227028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.227028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.227028 (E_RNA) where: Base-Base interactions energy: -1191.996 where: short stacking energy: -503.312 Base-Backbone interact. energy: -0.432 local terms energy: -548.798340 where: bonds (distance) C4'-P energy: -91.613 bonds (distance) P-C4' energy: -109.688 flat angles C4'-P-C4' energy: -119.453 flat angles P-C4'-P energy: -87.976 tors. eta vs tors. theta energy: -140.068 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: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1554.636347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.636347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.636347 (E_RNA) where: Base-Base interactions energy: -1039.661 where: short stacking energy: -465.805 Base-Backbone interact. energy: -2.740 local terms energy: -512.236055 where: bonds (distance) C4'-P energy: -102.483 bonds (distance) P-C4' energy: -96.943 flat angles C4'-P-C4' energy: -119.357 flat angles P-C4'-P energy: -58.226 tors. eta vs tors. theta energy: -135.226 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: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1375.582508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.582508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.582508 (E_RNA) where: Base-Base interactions energy: -892.559 where: short stacking energy: -375.565 Base-Backbone interact. energy: 1.489 local terms energy: -484.511705 where: bonds (distance) C4'-P energy: -98.636 bonds (distance) P-C4' energy: -118.372 flat angles C4'-P-C4' energy: -106.361 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -91.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1166.566451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.566451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.566451 (E_RNA) where: Base-Base interactions energy: -728.649 where: short stacking energy: -350.404 Base-Backbone interact. energy: -2.433 local terms energy: -435.484650 where: bonds (distance) C4'-P energy: -85.759 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -103.622 flat angles P-C4'-P energy: -58.215 tors. eta vs tors. theta energy: -82.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -995.702516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.702516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.702516 (E_RNA) where: Base-Base interactions energy: -606.954 where: short stacking energy: -298.195 Base-Backbone interact. energy: -1.265 local terms energy: -387.482765 where: bonds (distance) C4'-P energy: -91.516 bonds (distance) P-C4' energy: -96.830 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -58.133 tors. eta vs tors. theta energy: -53.823 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: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -531.746663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.746663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.746663 (E_RNA) where: Base-Base interactions energy: -229.913 where: short stacking energy: -130.756 Base-Backbone interact. energy: -1.859 local terms energy: -299.975015 where: bonds (distance) C4'-P energy: -80.831 bonds (distance) P-C4' energy: -98.368 flat angles C4'-P-C4' energy: -78.584 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: 7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2077.919661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.919661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.919661 (E_RNA) where: Base-Base interactions energy: -1435.738 where: short stacking energy: -611.897 Base-Backbone interact. energy: 0.144 local terms energy: -642.325180 where: bonds (distance) C4'-P energy: -120.663 bonds (distance) P-C4' energy: -115.748 flat angles C4'-P-C4' energy: -138.337 flat angles P-C4'-P energy: -86.563 tors. eta vs tors. theta energy: -181.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2028.971414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.971414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.971414 (E_RNA) where: Base-Base interactions energy: -1407.915 where: short stacking energy: -622.574 Base-Backbone interact. energy: -0.424 local terms energy: -620.632637 where: bonds (distance) C4'-P energy: -112.807 bonds (distance) P-C4' energy: -122.844 flat angles C4'-P-C4' energy: -123.178 flat angles P-C4'-P energy: -77.157 tors. eta vs tors. theta energy: -184.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1942.961621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.961621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.961621 (E_RNA) where: Base-Base interactions energy: -1324.243 where: short stacking energy: -568.148 Base-Backbone interact. energy: -0.085 local terms energy: -618.633650 where: bonds (distance) C4'-P energy: -118.836 bonds (distance) P-C4' energy: -113.055 flat angles C4'-P-C4' energy: -132.045 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -184.940 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: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1873.869333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.869333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.869333 (E_RNA) where: Base-Base interactions energy: -1282.659 where: short stacking energy: -551.506 Base-Backbone interact. energy: -1.248 local terms energy: -589.962435 where: bonds (distance) C4'-P energy: -104.631 bonds (distance) P-C4' energy: -100.717 flat angles C4'-P-C4' energy: -129.505 flat angles P-C4'-P energy: -91.947 tors. eta vs tors. theta energy: -163.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1706.073279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.073279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.073279 (E_RNA) where: Base-Base interactions energy: -1151.618 where: short stacking energy: -479.356 Base-Backbone interact. energy: -2.536 local terms energy: -551.919306 where: bonds (distance) C4'-P energy: -111.750 bonds (distance) P-C4' energy: -100.298 flat angles C4'-P-C4' energy: -125.998 flat angles P-C4'-P energy: -79.596 tors. eta vs tors. theta energy: -134.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1523.170144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.170144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.170144 (E_RNA) where: Base-Base interactions energy: -984.241 where: short stacking energy: -438.946 Base-Backbone interact. energy: -3.068 local terms energy: -535.860961 where: bonds (distance) C4'-P energy: -113.057 bonds (distance) P-C4' energy: -119.028 flat angles C4'-P-C4' energy: -109.634 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -125.709 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: 467 Temperature: 1.200000 Total energy: -1344.501562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.501562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.501562 (E_RNA) where: Base-Base interactions energy: -867.256 where: short stacking energy: -380.256 Base-Backbone interact. energy: -2.135 local terms energy: -475.110695 where: bonds (distance) C4'-P energy: -99.404 bonds (distance) P-C4' energy: -101.623 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -65.110 tors. eta vs tors. theta energy: -96.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1135.595512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.595512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.595512 (E_RNA) where: Base-Base interactions energy: -725.172 where: short stacking energy: -323.897 Base-Backbone interact. energy: 0.230 local terms energy: -410.652980 where: bonds (distance) C4'-P energy: -80.924 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -96.045 flat angles P-C4'-P energy: -63.589 tors. eta vs tors. theta energy: -65.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -958.863950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.863950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.863950 (E_RNA) where: Base-Base interactions energy: -566.820 where: short stacking energy: -305.740 Base-Backbone interact. energy: -0.837 local terms energy: -391.207607 where: bonds (distance) C4'-P energy: -75.193 bonds (distance) P-C4' energy: -112.094 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -42.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -517.780846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.780846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.780846 (E_RNA) where: Base-Base interactions energy: -234.913 where: short stacking energy: -165.626 Base-Backbone interact. energy: 2.908 local terms energy: -285.776408 where: bonds (distance) C4'-P energy: -86.266 bonds (distance) P-C4' energy: -105.582 flat angles C4'-P-C4' energy: -66.190 flat angles P-C4'-P energy: -50.476 tors. eta vs tors. theta energy: 22.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2085.755722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.755722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.755722 (E_RNA) where: Base-Base interactions energy: -1443.210 where: short stacking energy: -620.339 Base-Backbone interact. energy: 1.254 local terms energy: -643.800034 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -91.154 tors. eta vs tors. theta energy: -188.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2025.522637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.522637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.522637 (E_RNA) where: Base-Base interactions energy: -1403.169 where: short stacking energy: -569.772 Base-Backbone interact. energy: -2.323 local terms energy: -620.030737 where: bonds (distance) C4'-P energy: -113.230 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -134.055 flat angles P-C4'-P energy: -83.879 tors. eta vs tors. theta energy: -177.279 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: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1931.354499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.354499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.354499 (E_RNA) where: Base-Base interactions energy: -1342.169 where: short stacking energy: -560.807 Base-Backbone interact. energy: -2.109 local terms energy: -587.075771 where: bonds (distance) C4'-P energy: -91.439 bonds (distance) P-C4' energy: -114.170 flat angles C4'-P-C4' energy: -139.300 flat angles P-C4'-P energy: -79.259 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: 468 Temperature: 1.050000 Total energy: -1919.721549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.721549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.721549 (E_RNA) where: Base-Base interactions energy: -1319.455 where: short stacking energy: -568.218 Base-Backbone interact. energy: -2.775 local terms energy: -597.491653 where: bonds (distance) C4'-P energy: -109.447 bonds (distance) P-C4' energy: -106.318 flat angles C4'-P-C4' energy: -117.936 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -179.390 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: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1697.780955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.780955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.780955 (E_RNA) where: Base-Base interactions energy: -1158.653 where: short stacking energy: -499.830 Base-Backbone interact. energy: -3.686 local terms energy: -535.442094 where: bonds (distance) C4'-P energy: -104.429 bonds (distance) P-C4' energy: -105.705 flat angles C4'-P-C4' energy: -117.235 flat angles P-C4'-P energy: -70.362 tors. eta vs tors. theta energy: -137.711 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: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1573.062419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.062419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.062419 (E_RNA) where: Base-Base interactions energy: -1072.138 where: short stacking energy: -444.815 Base-Backbone interact. energy: -3.231 local terms energy: -497.693682 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -113.711 flat angles C4'-P-C4' energy: -111.041 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -124.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1352.194322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.194322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.194322 (E_RNA) where: Base-Base interactions energy: -865.886 where: short stacking energy: -383.239 Base-Backbone interact. energy: 0.897 local terms energy: -487.205207 where: bonds (distance) C4'-P energy: -107.202 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -108.491 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -90.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1189.330238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.330238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.330238 (E_RNA) where: Base-Base interactions energy: -761.246 where: short stacking energy: -328.542 Base-Backbone interact. energy: 1.085 local terms energy: -429.169879 where: bonds (distance) C4'-P energy: -84.391 bonds (distance) P-C4' energy: -105.442 flat angles C4'-P-C4' energy: -87.553 flat angles P-C4'-P energy: -76.712 tors. eta vs tors. theta energy: -75.072 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: 9, replica: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -980.400941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.400941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.400941 (E_RNA) where: Base-Base interactions energy: -587.513 where: short stacking energy: -279.100 Base-Backbone interact. energy: 0.615 local terms energy: -393.503421 where: bonds (distance) C4'-P energy: -100.884 bonds (distance) P-C4' energy: -98.173 flat angles C4'-P-C4' energy: -81.095 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -54.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -563.795857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.795857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.795857 (E_RNA) where: Base-Base interactions energy: -237.208 where: short stacking energy: -155.013 Base-Backbone interact. energy: -2.259 local terms energy: -324.328336 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -105.176 flat angles C4'-P-C4' energy: -92.474 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: 14.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2082.442753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.442753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.442753 (E_RNA) where: Base-Base interactions energy: -1436.213 where: short stacking energy: -621.186 Base-Backbone interact. energy: -2.258 local terms energy: -643.971736 where: bonds (distance) C4'-P energy: -116.008 bonds (distance) P-C4' energy: -120.944 flat angles C4'-P-C4' energy: -135.550 flat angles P-C4'-P energy: -85.454 tors. eta vs tors. theta energy: -186.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2022.557212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.557212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.557212 (E_RNA) where: Base-Base interactions energy: -1400.008 where: short stacking energy: -579.761 Base-Backbone interact. energy: -3.493 local terms energy: -619.056221 where: bonds (distance) C4'-P energy: -115.218 bonds (distance) P-C4' energy: -107.026 flat angles C4'-P-C4' energy: -126.814 flat angles P-C4'-P energy: -94.550 tors. eta vs tors. theta energy: -175.448 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: 469 Temperature: 1.000000 Total energy: -1959.557638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.557638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.557638 (E_RNA) where: Base-Base interactions energy: -1366.625 where: short stacking energy: -563.910 Base-Backbone interact. energy: -0.814 local terms energy: -592.118038 where: bonds (distance) C4'-P energy: -107.170 bonds (distance) P-C4' energy: -120.081 flat angles C4'-P-C4' energy: -115.185 flat angles P-C4'-P energy: -80.933 tors. eta vs tors. theta energy: -168.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1881.491952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.491952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.491952 (E_RNA) where: Base-Base interactions energy: -1274.747 where: short stacking energy: -559.927 Base-Backbone interact. energy: -0.548 local terms energy: -606.196321 where: bonds (distance) C4'-P energy: -106.318 bonds (distance) P-C4' energy: -116.347 flat angles C4'-P-C4' energy: -129.963 flat angles P-C4'-P energy: -75.031 tors. eta vs tors. theta energy: -178.538 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: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1733.740811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.740811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.740811 (E_RNA) where: Base-Base interactions energy: -1182.771 where: short stacking energy: -514.240 Base-Backbone interact. energy: -1.562 local terms energy: -549.408505 where: bonds (distance) C4'-P energy: -100.516 bonds (distance) P-C4' energy: -101.549 flat angles C4'-P-C4' energy: -119.305 flat angles P-C4'-P energy: -79.989 tors. eta vs tors. theta energy: -148.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1544.478181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.478181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.478181 (E_RNA) where: Base-Base interactions energy: -1031.194 where: short stacking energy: -441.944 Base-Backbone interact. energy: -2.822 local terms energy: -510.462251 where: bonds (distance) C4'-P energy: -105.337 bonds (distance) P-C4' energy: -101.497 flat angles C4'-P-C4' energy: -112.503 flat angles P-C4'-P energy: -75.042 tors. eta vs tors. theta energy: -116.085 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: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1394.455371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.455371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.455371 (E_RNA) where: Base-Base interactions energy: -929.685 where: short stacking energy: -387.981 Base-Backbone interact. energy: 0.715 local terms energy: -465.486092 where: bonds (distance) C4'-P energy: -106.043 bonds (distance) P-C4' energy: -95.493 flat angles C4'-P-C4' energy: -99.503 flat angles P-C4'-P energy: -73.704 tors. eta vs tors. theta energy: -90.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1219.248484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.248484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.248484 (E_RNA) where: Base-Base interactions energy: -782.230 where: short stacking energy: -338.280 Base-Backbone interact. energy: -2.106 local terms energy: -434.912653 where: bonds (distance) C4'-P energy: -91.865 bonds (distance) P-C4' energy: -101.883 flat angles C4'-P-C4' energy: -100.352 flat angles P-C4'-P energy: -65.651 tors. eta vs tors. theta energy: -75.161 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: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -982.937268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.937268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.937268 (E_RNA) where: Base-Base interactions energy: -590.640 where: short stacking energy: -290.010 Base-Backbone interact. energy: -0.899 local terms energy: -391.397514 where: bonds (distance) C4'-P energy: -96.914 bonds (distance) P-C4' energy: -99.080 flat angles C4'-P-C4' energy: -85.843 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -49.650 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: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -567.535511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.535511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.535511 (E_RNA) where: Base-Base interactions energy: -230.374 where: short stacking energy: -133.363 Base-Backbone interact. energy: 0.998 local terms energy: -338.159509 where: bonds (distance) C4'-P energy: -100.184 bonds (distance) P-C4' energy: -107.496 flat angles C4'-P-C4' energy: -79.700 flat angles P-C4'-P energy: -56.858 tors. eta vs tors. theta energy: 6.079 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: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2077.127526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.127526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.127526 (E_RNA) where: Base-Base interactions energy: -1417.494 where: short stacking energy: -595.628 Base-Backbone interact. energy: -3.660 local terms energy: -655.972976 where: bonds (distance) C4'-P energy: -115.522 bonds (distance) P-C4' energy: -129.389 flat angles C4'-P-C4' energy: -146.788 flat angles P-C4'-P energy: -88.628 tors. eta vs tors. theta energy: -175.647 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: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2048.006187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.006187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.006187 (E_RNA) where: Base-Base interactions energy: -1435.163 where: short stacking energy: -620.398 Base-Backbone interact. energy: -0.540 local terms energy: -612.303405 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -102.892 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -181.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1981.069579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.069579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.069579 (E_RNA) where: Base-Base interactions energy: -1385.303 where: short stacking energy: -571.203 Base-Backbone interact. energy: 0.391 local terms energy: -596.157087 where: bonds (distance) C4'-P energy: -108.476 bonds (distance) P-C4' energy: -116.330 flat angles C4'-P-C4' energy: -116.589 flat angles P-C4'-P energy: -90.463 tors. eta vs tors. theta energy: -164.299 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: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1891.567696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.567696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.567696 (E_RNA) where: Base-Base interactions energy: -1301.598 where: short stacking energy: -576.423 Base-Backbone interact. energy: -1.981 local terms energy: -587.988183 where: bonds (distance) C4'-P energy: -115.927 bonds (distance) P-C4' energy: -98.904 flat angles C4'-P-C4' energy: -123.533 flat angles P-C4'-P energy: -77.815 tors. eta vs tors. theta energy: -171.809 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: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1734.761757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.761757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.761757 (E_RNA) where: Base-Base interactions energy: -1180.773 where: short stacking energy: -522.711 Base-Backbone interact. energy: 1.175 local terms energy: -555.163797 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -111.644 flat angles C4'-P-C4' energy: -118.802 flat angles P-C4'-P energy: -82.366 tors. eta vs tors. theta energy: -140.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1553.722398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.722398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.722398 (E_RNA) where: Base-Base interactions energy: -1045.054 where: short stacking energy: -469.150 Base-Backbone interact. energy: -0.815 local terms energy: -507.853896 where: bonds (distance) C4'-P energy: -100.550 bonds (distance) P-C4' energy: -108.006 flat angles C4'-P-C4' energy: -107.756 flat angles P-C4'-P energy: -67.758 tors. eta vs tors. theta energy: -123.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1363.379737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.379737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.379737 (E_RNA) where: Base-Base interactions energy: -923.889 where: short stacking energy: -396.673 Base-Backbone interact. energy: -4.427 local terms energy: -435.064298 where: bonds (distance) C4'-P energy: -92.915 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -101.193 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -89.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1179.085624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.085624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.085624 (E_RNA) where: Base-Base interactions energy: -772.379 where: short stacking energy: -348.890 Base-Backbone interact. energy: 0.953 local terms energy: -407.659873 where: bonds (distance) C4'-P energy: -66.311 bonds (distance) P-C4' energy: -99.694 flat angles C4'-P-C4' energy: -98.849 flat angles P-C4'-P energy: -67.479 tors. eta vs tors. theta energy: -75.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -968.374149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.374149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.374149 (E_RNA) where: Base-Base interactions energy: -591.665 where: short stacking energy: -301.303 Base-Backbone interact. energy: 3.484 local terms energy: -380.193705 where: bonds (distance) C4'-P energy: -105.505 bonds (distance) P-C4' energy: -107.154 flat angles C4'-P-C4' energy: -84.016 flat angles P-C4'-P energy: -44.965 tors. eta vs tors. theta energy: -38.555 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: 470 Temperature: 1.350000 Total energy: -502.343638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.343638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.343638 (E_RNA) where: Base-Base interactions energy: -217.436 where: short stacking energy: -112.044 Base-Backbone interact. energy: 12.658 local terms energy: -297.566193 where: bonds (distance) C4'-P energy: -96.353 bonds (distance) P-C4' energy: -115.505 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: 31.030 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: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2096.819220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.819220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.819220 (E_RNA) where: Base-Base interactions energy: -1455.454 where: short stacking energy: -630.357 Base-Backbone interact. energy: -3.010 local terms energy: -638.355011 where: bonds (distance) C4'-P energy: -121.646 bonds (distance) P-C4' energy: -103.436 flat angles C4'-P-C4' energy: -142.219 flat angles P-C4'-P energy: -94.970 tors. eta vs tors. theta energy: -176.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2061.882373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.882373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.882373 (E_RNA) where: Base-Base interactions energy: -1422.493 where: short stacking energy: -590.676 Base-Backbone interact. energy: -0.567 local terms energy: -638.822885 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -127.186 flat angles C4'-P-C4' energy: -138.338 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -170.748 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: 471 Temperature: 1.000000 Total energy: -1964.967907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.967907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.967907 (E_RNA) where: Base-Base interactions energy: -1368.886 where: short stacking energy: -565.555 Base-Backbone interact. energy: -2.536 local terms energy: -593.545185 where: bonds (distance) C4'-P energy: -116.017 bonds (distance) P-C4' energy: -112.751 flat angles C4'-P-C4' energy: -130.117 flat angles P-C4'-P energy: -85.537 tors. eta vs tors. theta energy: -149.122 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1854.434524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.434524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.434524 (E_RNA) where: Base-Base interactions energy: -1277.311 where: short stacking energy: -567.347 Base-Backbone interact. energy: -2.052 local terms energy: -575.071484 where: bonds (distance) C4'-P energy: -104.604 bonds (distance) P-C4' energy: -114.538 flat angles C4'-P-C4' energy: -122.435 flat angles P-C4'-P energy: -64.924 tors. eta vs tors. theta energy: -168.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1761.591437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.591437 (E_RNA) where: Base-Base interactions energy: -1205.551 where: short stacking energy: -495.562 Base-Backbone interact. energy: -2.107 local terms energy: -553.932559 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -107.342 flat angles C4'-P-C4' energy: -129.029 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -140.443 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: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1571.315396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.315396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.315396 (E_RNA) where: Base-Base interactions energy: -1081.529 where: short stacking energy: -475.184 Base-Backbone interact. energy: -3.086 local terms energy: -486.700176 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -85.320 flat angles C4'-P-C4' energy: -120.646 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -129.916 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: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1392.820729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.820729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.820729 (E_RNA) where: Base-Base interactions energy: -920.791 where: short stacking energy: -401.478 Base-Backbone interact. energy: -2.239 local terms energy: -469.790921 where: bonds (distance) C4'-P energy: -103.133 bonds (distance) P-C4' energy: -95.903 flat angles C4'-P-C4' energy: -106.642 flat angles P-C4'-P energy: -64.633 tors. eta vs tors. theta energy: -99.480 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: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1222.082512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.082512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.082512 (E_RNA) where: Base-Base interactions energy: -766.407 where: short stacking energy: -354.873 Base-Backbone interact. energy: -1.279 local terms energy: -454.396287 where: bonds (distance) C4'-P energy: -91.738 bonds (distance) P-C4' energy: -94.496 flat angles C4'-P-C4' energy: -117.135 flat angles P-C4'-P energy: -71.496 tors. eta vs tors. theta energy: -79.530 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: 9, replica: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -981.757795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.757795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.757795 (E_RNA) where: Base-Base interactions energy: -615.935 where: short stacking energy: -277.299 Base-Backbone interact. energy: 5.779 local terms energy: -371.602149 where: bonds (distance) C4'-P energy: -77.500 bonds (distance) P-C4' energy: -94.121 flat angles C4'-P-C4' energy: -95.836 flat angles P-C4'-P energy: -59.429 tors. eta vs tors. theta energy: -44.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -494.757853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.757853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.757853 (E_RNA) where: Base-Base interactions energy: -177.820 where: short stacking energy: -121.648 Base-Backbone interact. energy: -3.120 local terms energy: -313.818081 where: bonds (distance) C4'-P energy: -109.996 bonds (distance) P-C4' energy: -91.012 flat angles C4'-P-C4' energy: -72.815 flat angles P-C4'-P energy: -47.295 tors. eta vs tors. theta energy: 7.299 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: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2044.184600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.184600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.184600 (E_RNA) where: Base-Base interactions energy: -1421.123 where: short stacking energy: -593.536 Base-Backbone interact. energy: -1.980 local terms energy: -621.081061 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -114.384 flat angles C4'-P-C4' energy: -131.982 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -153.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2043.120312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.120312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.120312 (E_RNA) where: Base-Base interactions energy: -1403.265 where: short stacking energy: -598.933 Base-Backbone interact. energy: -2.747 local terms energy: -637.108615 where: bonds (distance) C4'-P energy: -126.000 bonds (distance) P-C4' energy: -117.673 flat angles C4'-P-C4' energy: -135.467 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -180.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1954.687615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.687615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.687615 (E_RNA) where: Base-Base interactions energy: -1370.400 where: short stacking energy: -587.851 Base-Backbone interact. energy: -2.037 local terms energy: -582.250029 where: bonds (distance) C4'-P energy: -89.886 bonds (distance) P-C4' energy: -112.030 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -79.088 tors. eta vs tors. theta energy: -171.874 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: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1860.993074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.993074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.993074 (E_RNA) where: Base-Base interactions energy: -1271.880 where: short stacking energy: -547.740 Base-Backbone interact. energy: -1.971 local terms energy: -587.142273 where: bonds (distance) C4'-P energy: -101.928 bonds (distance) P-C4' energy: -113.036 flat angles C4'-P-C4' energy: -132.042 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: -172.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1780.237306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.237306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.237306 (E_RNA) where: Base-Base interactions energy: -1228.518 where: short stacking energy: -504.539 Base-Backbone interact. energy: -3.324 local terms energy: -548.395397 where: bonds (distance) C4'-P energy: -114.478 bonds (distance) P-C4' energy: -111.571 flat angles C4'-P-C4' energy: -117.694 flat angles P-C4'-P energy: -67.959 tors. eta vs tors. theta energy: -136.693 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: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1591.621127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.621127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.621127 (E_RNA) where: Base-Base interactions energy: -1094.087 where: short stacking energy: -445.691 Base-Backbone interact. energy: -1.181 local terms energy: -496.353508 where: bonds (distance) C4'-P energy: -95.151 bonds (distance) P-C4' energy: -103.869 flat angles C4'-P-C4' energy: -118.616 flat angles P-C4'-P energy: -56.126 tors. eta vs tors. theta energy: -122.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1472.204220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.204220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.204220 (E_RNA) where: Base-Base interactions energy: -963.793 where: short stacking energy: -417.904 Base-Backbone interact. energy: -0.122 local terms energy: -508.288816 where: bonds (distance) C4'-P energy: -102.198 bonds (distance) P-C4' energy: -107.167 flat angles C4'-P-C4' energy: -109.967 flat angles P-C4'-P energy: -68.926 tors. eta vs tors. theta energy: -120.031 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: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1270.402648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.402648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.402648 (E_RNA) where: Base-Base interactions energy: -839.216 where: short stacking energy: -367.444 Base-Backbone interact. energy: 0.263 local terms energy: -431.449804 where: bonds (distance) C4'-P energy: -101.126 bonds (distance) P-C4' energy: -92.172 flat angles C4'-P-C4' energy: -100.399 flat angles P-C4'-P energy: -62.012 tors. eta vs tors. theta energy: -75.742 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: 4 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -945.961302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.961302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.961302 (E_RNA) where: Base-Base interactions energy: -550.620 where: short stacking energy: -253.269 Base-Backbone interact. energy: 4.385 local terms energy: -399.726519 where: bonds (distance) C4'-P energy: -100.525 bonds (distance) P-C4' energy: -106.239 flat angles C4'-P-C4' energy: -93.407 flat angles P-C4'-P energy: -64.208 tors. eta vs tors. theta energy: -35.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -513.042673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.042673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.042673 (E_RNA) where: Base-Base interactions energy: -190.865 where: short stacking energy: -140.101 Base-Backbone interact. energy: -0.902 local terms energy: -321.274887 where: bonds (distance) C4'-P energy: -87.734 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -84.324 flat angles P-C4'-P energy: -47.337 tors. eta vs tors. theta energy: 14.591 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: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2063.680880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.680880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.680880 (E_RNA) where: Base-Base interactions energy: -1438.112 where: short stacking energy: -584.385 Base-Backbone interact. energy: -3.564 local terms energy: -622.005124 where: bonds (distance) C4'-P energy: -119.051 bonds (distance) P-C4' energy: -122.643 flat angles C4'-P-C4' energy: -135.418 flat angles P-C4'-P energy: -81.139 tors. eta vs tors. theta energy: -163.754 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: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2043.886937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.886937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.886937 (E_RNA) where: Base-Base interactions energy: -1406.780 where: short stacking energy: -596.692 Base-Backbone interact. energy: 0.198 local terms energy: -637.304762 where: bonds (distance) C4'-P energy: -115.933 bonds (distance) P-C4' energy: -122.206 flat angles C4'-P-C4' energy: -138.739 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -175.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1927.636214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.636214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.636214 (E_RNA) where: Base-Base interactions energy: -1304.422 where: short stacking energy: -543.142 Base-Backbone interact. energy: -1.961 local terms energy: -621.253268 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -118.154 flat angles C4'-P-C4' energy: -138.690 flat angles P-C4'-P energy: -99.402 tors. eta vs tors. theta energy: -150.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1884.604563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.604563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.604563 (E_RNA) where: Base-Base interactions energy: -1311.291 where: short stacking energy: -560.907 Base-Backbone interact. energy: -1.323 local terms energy: -571.991352 where: bonds (distance) C4'-P energy: -102.188 bonds (distance) P-C4' energy: -102.748 flat angles C4'-P-C4' energy: -121.470 flat angles P-C4'-P energy: -84.822 tors. eta vs tors. theta energy: -160.763 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: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1727.769477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.769477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.769477 (E_RNA) where: Base-Base interactions energy: -1187.105 where: short stacking energy: -514.358 Base-Backbone interact. energy: 0.503 local terms energy: -541.167564 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -108.749 flat angles C4'-P-C4' energy: -124.220 flat angles P-C4'-P energy: -73.064 tors. eta vs tors. theta energy: -149.032 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: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1576.191657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.191657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.191657 (E_RNA) where: Base-Base interactions energy: -1071.793 where: short stacking energy: -445.695 Base-Backbone interact. energy: 0.902 local terms energy: -505.301253 where: bonds (distance) C4'-P energy: -114.776 bonds (distance) P-C4' energy: -83.377 flat angles C4'-P-C4' energy: -114.081 flat angles P-C4'-P energy: -74.036 tors. eta vs tors. theta energy: -119.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1488.466133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.466133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.466133 (E_RNA) where: Base-Base interactions energy: -973.986 where: short stacking energy: -414.128 Base-Backbone interact. energy: -3.691 local terms energy: -510.788742 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -108.323 flat angles C4'-P-C4' energy: -119.366 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -126.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1252.120913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.120913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.120913 (E_RNA) where: Base-Base interactions energy: -814.731 where: short stacking energy: -343.811 Base-Backbone interact. energy: -3.115 local terms energy: -434.274917 where: bonds (distance) C4'-P energy: -91.719 bonds (distance) P-C4' energy: -105.586 flat angles C4'-P-C4' energy: -107.598 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -77.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -913.508013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.508013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.508013 (E_RNA) where: Base-Base interactions energy: -529.310 where: short stacking energy: -258.229 Base-Backbone interact. energy: -1.085 local terms energy: -383.113240 where: bonds (distance) C4'-P energy: -99.688 bonds (distance) P-C4' energy: -97.258 flat angles C4'-P-C4' energy: -103.288 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -32.755 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: 473 Temperature: 1.350000 Total energy: -488.448696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.448696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.448696 (E_RNA) where: Base-Base interactions energy: -200.086 where: short stacking energy: -145.483 Base-Backbone interact. energy: 0.628 local terms energy: -288.989916 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -114.462 flat angles C4'-P-C4' energy: -80.799 flat angles P-C4'-P energy: -35.661 tors. eta vs tors. theta energy: 32.566 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: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2093.337123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.337123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.337123 (E_RNA) where: Base-Base interactions energy: -1457.735 where: short stacking energy: -616.623 Base-Backbone interact. energy: -2.737 local terms energy: -632.865340 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -111.915 flat angles C4'-P-C4' energy: -132.954 flat angles P-C4'-P energy: -96.943 tors. eta vs tors. theta energy: -174.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2026.626166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.626166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.626166 (E_RNA) where: Base-Base interactions energy: -1381.671 where: short stacking energy: -603.069 Base-Backbone interact. energy: -2.303 local terms energy: -642.652600 where: bonds (distance) C4'-P energy: -126.814 bonds (distance) P-C4' energy: -125.612 flat angles C4'-P-C4' energy: -122.576 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -181.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1949.527528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.527528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.527528 (E_RNA) where: Base-Base interactions energy: -1354.822 where: short stacking energy: -570.467 Base-Backbone interact. energy: -3.218 local terms energy: -591.487589 where: bonds (distance) C4'-P energy: -102.626 bonds (distance) P-C4' energy: -112.219 flat angles C4'-P-C4' energy: -137.833 flat angles P-C4'-P energy: -82.910 tors. eta vs tors. theta energy: -155.900 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: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1897.469587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.469587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.469587 (E_RNA) where: Base-Base interactions energy: -1294.898 where: short stacking energy: -545.061 Base-Backbone interact. energy: -0.026 local terms energy: -602.545591 where: bonds (distance) C4'-P energy: -111.505 bonds (distance) P-C4' energy: -112.491 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -82.677 tors. eta vs tors. theta energy: -166.391 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: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1747.982607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.982607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.982607 (E_RNA) where: Base-Base interactions energy: -1190.529 where: short stacking energy: -479.572 Base-Backbone interact. energy: -2.478 local terms energy: -554.976189 where: bonds (distance) C4'-P energy: -104.548 bonds (distance) P-C4' energy: -112.117 flat angles C4'-P-C4' energy: -114.089 flat angles P-C4'-P energy: -84.770 tors. eta vs tors. theta energy: -139.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1597.011787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.011787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.011787 (E_RNA) where: Base-Base interactions energy: -1047.819 where: short stacking energy: -433.640 Base-Backbone interact. energy: -1.759 local terms energy: -547.432990 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -109.419 flat angles C4'-P-C4' energy: -120.292 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: -115.931 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: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1451.947349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.947349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.947349 (E_RNA) where: Base-Base interactions energy: -947.443 where: short stacking energy: -414.102 Base-Backbone interact. energy: -1.680 local terms energy: -502.823821 where: bonds (distance) C4'-P energy: -115.906 bonds (distance) P-C4' energy: -91.180 flat angles C4'-P-C4' energy: -116.707 flat angles P-C4'-P energy: -71.855 tors. eta vs tors. theta energy: -107.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1259.952774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.952774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.952774 (E_RNA) where: Base-Base interactions energy: -828.718 where: short stacking energy: -353.638 Base-Backbone interact. energy: -3.299 local terms energy: -427.935859 where: bonds (distance) C4'-P energy: -108.823 bonds (distance) P-C4' energy: -87.211 flat angles C4'-P-C4' energy: -92.964 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -84.545 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: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -953.846354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.846354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.846354 (E_RNA) where: Base-Base interactions energy: -570.002 where: short stacking energy: -271.326 Base-Backbone interact. energy: -2.249 local terms energy: -381.595667 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -98.260 flat angles C4'-P-C4' energy: -95.321 flat angles P-C4'-P energy: -58.770 tors. eta vs tors. theta energy: -40.179 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: 474 Temperature: 1.350000 Total energy: -485.596410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.596410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.596410 (E_RNA) where: Base-Base interactions energy: -190.642 where: short stacking energy: -137.151 Base-Backbone interact. energy: 2.751 local terms energy: -297.705918 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -83.285 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -52.905 tors. eta vs tors. theta energy: 21.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2096.420676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.420676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.420676 (E_RNA) where: Base-Base interactions energy: -1452.510 where: short stacking energy: -598.964 Base-Backbone interact. energy: -4.973 local terms energy: -638.937929 where: bonds (distance) C4'-P energy: -129.054 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -142.811 flat angles P-C4'-P energy: -85.758 tors. eta vs tors. theta energy: -171.486 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: 2, replica: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2045.242670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.242670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.242670 (E_RNA) where: Base-Base interactions energy: -1397.028 where: short stacking energy: -575.643 Base-Backbone interact. energy: -3.025 local terms energy: -645.189487 where: bonds (distance) C4'-P energy: -108.242 bonds (distance) P-C4' energy: -131.012 flat angles C4'-P-C4' energy: -133.758 flat angles P-C4'-P energy: -89.663 tors. eta vs tors. theta energy: -182.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1919.096330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.096330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.096330 (E_RNA) where: Base-Base interactions energy: -1362.201 where: short stacking energy: -560.919 Base-Backbone interact. energy: -1.001 local terms energy: -555.895121 where: bonds (distance) C4'-P energy: -92.968 bonds (distance) P-C4' energy: -105.274 flat angles C4'-P-C4' energy: -125.515 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -152.333 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: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1918.996109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.996109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.996109 (E_RNA) where: Base-Base interactions energy: -1308.664 where: short stacking energy: -590.707 Base-Backbone interact. energy: 2.906 local terms energy: -613.237680 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -100.698 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -73.340 tors. eta vs tors. theta energy: -181.138 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: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1762.647116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.647116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.647116 (E_RNA) where: Base-Base interactions energy: -1197.403 where: short stacking energy: -497.459 Base-Backbone interact. energy: -2.099 local terms energy: -563.145671 where: bonds (distance) C4'-P energy: -102.416 bonds (distance) P-C4' energy: -114.131 flat angles C4'-P-C4' energy: -122.456 flat angles P-C4'-P energy: -75.242 tors. eta vs tors. theta energy: -148.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1614.448847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.448847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.448847 (E_RNA) where: Base-Base interactions energy: -1058.617 where: short stacking energy: -463.085 Base-Backbone interact. energy: -1.140 local terms energy: -554.692355 where: bonds (distance) C4'-P energy: -88.906 bonds (distance) P-C4' energy: -120.833 flat angles C4'-P-C4' energy: -118.005 flat angles P-C4'-P energy: -92.318 tors. eta vs tors. theta energy: -134.630 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: 475 Temperature: 1.200000 Total energy: -1415.892565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.892565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.892565 (E_RNA) where: Base-Base interactions energy: -926.166 where: short stacking energy: -402.020 Base-Backbone interact. energy: 5.818 local terms energy: -495.544459 where: bonds (distance) C4'-P energy: -105.153 bonds (distance) P-C4' energy: -101.897 flat angles C4'-P-C4' energy: -107.788 flat angles P-C4'-P energy: -67.193 tors. eta vs tors. theta energy: -113.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1251.160486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.160486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.160486 (E_RNA) where: Base-Base interactions energy: -782.400 where: short stacking energy: -357.995 Base-Backbone interact. energy: -0.946 local terms energy: -467.814114 where: bonds (distance) C4'-P energy: -110.930 bonds (distance) P-C4' energy: -95.568 flat angles C4'-P-C4' energy: -107.053 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: -85.507 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: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -961.204737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.204737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.204737 (E_RNA) where: Base-Base interactions energy: -547.560 where: short stacking energy: -248.903 Base-Backbone interact. energy: 0.035 local terms energy: -413.679537 where: bonds (distance) C4'-P energy: -102.468 bonds (distance) P-C4' energy: -92.368 flat angles C4'-P-C4' energy: -116.901 flat angles P-C4'-P energy: -70.725 tors. eta vs tors. theta energy: -31.217 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: 475 Temperature: 1.350000 Total energy: -476.694335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.694335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.694335 (E_RNA) where: Base-Base interactions energy: -196.328 where: short stacking energy: -158.494 Base-Backbone interact. energy: 1.440 local terms energy: -281.806317 where: bonds (distance) C4'-P energy: -94.108 bonds (distance) P-C4' energy: -99.714 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -48.204 tors. eta vs tors. theta energy: 28.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2094.361846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.361846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.361846 (E_RNA) where: Base-Base interactions energy: -1450.036 where: short stacking energy: -595.469 Base-Backbone interact. energy: -3.695 local terms energy: -640.631654 where: bonds (distance) C4'-P energy: -125.011 bonds (distance) P-C4' energy: -126.245 flat angles C4'-P-C4' energy: -124.977 flat angles P-C4'-P energy: -87.489 tors. eta vs tors. theta energy: -176.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2052.347068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.347068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.347068 (E_RNA) where: Base-Base interactions energy: -1459.204 where: short stacking energy: -614.189 Base-Backbone interact. energy: -4.276 local terms energy: -588.867115 where: bonds (distance) C4'-P energy: -94.588 bonds (distance) P-C4' energy: -108.183 flat angles C4'-P-C4' energy: -125.230 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -174.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1966.306413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.306413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.306413 (E_RNA) where: Base-Base interactions energy: -1342.721 where: short stacking energy: -577.817 Base-Backbone interact. energy: -4.285 local terms energy: -619.299984 where: bonds (distance) C4'-P energy: -124.126 bonds (distance) P-C4' energy: -108.836 flat angles C4'-P-C4' energy: -119.412 flat angles P-C4'-P energy: -84.247 tors. eta vs tors. theta energy: -182.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1887.863407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.863407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.863407 (E_RNA) where: Base-Base interactions energy: -1310.400 where: short stacking energy: -558.559 Base-Backbone interact. energy: -0.661 local terms energy: -576.802411 where: bonds (distance) C4'-P energy: -106.915 bonds (distance) P-C4' energy: -103.933 flat angles C4'-P-C4' energy: -126.910 flat angles P-C4'-P energy: -87.648 tors. eta vs tors. theta energy: -151.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1713.409244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.409244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.409244 (E_RNA) where: Base-Base interactions energy: -1185.536 where: short stacking energy: -476.850 Base-Backbone interact. energy: -1.649 local terms energy: -526.224681 where: bonds (distance) C4'-P energy: -106.315 bonds (distance) P-C4' energy: -104.447 flat angles C4'-P-C4' energy: -109.713 flat angles P-C4'-P energy: -83.375 tors. eta vs tors. theta energy: -122.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1642.049830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.049830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.049830 (E_RNA) where: Base-Base interactions energy: -1117.410 where: short stacking energy: -452.767 Base-Backbone interact. energy: -0.796 local terms energy: -523.844736 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -103.345 flat angles C4'-P-C4' energy: -116.244 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -128.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1423.517216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.517216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.517216 (E_RNA) where: Base-Base interactions energy: -926.210 where: short stacking energy: -412.774 Base-Backbone interact. energy: -4.422 local terms energy: -492.885135 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -111.612 flat angles C4'-P-C4' energy: -100.524 flat angles P-C4'-P energy: -79.902 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1268.004621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.004621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.004621 (E_RNA) where: Base-Base interactions energy: -838.217 where: short stacking energy: -366.987 Base-Backbone interact. energy: -1.875 local terms energy: -427.912269 where: bonds (distance) C4'-P energy: -95.409 bonds (distance) P-C4' energy: -96.298 flat angles C4'-P-C4' energy: -101.980 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -79.246 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: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -953.236602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.236602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.236602 (E_RNA) where: Base-Base interactions energy: -578.723 where: short stacking energy: -298.381 Base-Backbone interact. energy: 1.844 local terms energy: -376.357527 where: bonds (distance) C4'-P energy: -102.142 bonds (distance) P-C4' energy: -90.196 flat angles C4'-P-C4' energy: -72.876 flat angles P-C4'-P energy: -60.177 tors. eta vs tors. theta energy: -50.966 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: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -514.888242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.888242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.888242 (E_RNA) where: Base-Base interactions energy: -226.606 where: short stacking energy: -157.444 Base-Backbone interact. energy: -2.092 local terms energy: -286.190386 where: bonds (distance) C4'-P energy: -80.843 bonds (distance) P-C4' energy: -95.080 flat angles C4'-P-C4' energy: -80.543 flat angles P-C4'-P energy: -40.522 tors. eta vs tors. theta energy: 10.798 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: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2074.897970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.897970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.897970 (E_RNA) where: Base-Base interactions energy: -1458.004 where: short stacking energy: -543.746 Base-Backbone interact. energy: 1.421 local terms energy: -618.314785 where: bonds (distance) C4'-P energy: -120.431 bonds (distance) P-C4' energy: -124.093 flat angles C4'-P-C4' energy: -128.379 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -155.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2044.113541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.113541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.113541 (E_RNA) where: Base-Base interactions energy: -1432.929 where: short stacking energy: -623.371 Base-Backbone interact. energy: -2.290 local terms energy: -608.895514 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -103.049 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -87.932 tors. eta vs tors. theta energy: -178.765 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: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1986.335520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.335520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.335520 (E_RNA) where: Base-Base interactions energy: -1330.748 where: short stacking energy: -574.119 Base-Backbone interact. energy: -1.186 local terms energy: -654.401748 where: bonds (distance) C4'-P energy: -112.224 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -131.633 flat angles P-C4'-P energy: -86.362 tors. eta vs tors. theta energy: -189.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1851.601556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.601556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.601556 (E_RNA) where: Base-Base interactions energy: -1270.702 where: short stacking energy: -527.954 Base-Backbone interact. energy: -3.959 local terms energy: -576.940438 where: bonds (distance) C4'-P energy: -119.811 bonds (distance) P-C4' energy: -109.208 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -67.080 tors. eta vs tors. theta energy: -153.862 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: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1739.648178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.648178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.648178 (E_RNA) where: Base-Base interactions energy: -1158.207 where: short stacking energy: -494.490 Base-Backbone interact. energy: -2.790 local terms energy: -578.650461 where: bonds (distance) C4'-P energy: -100.234 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -130.971 flat angles P-C4'-P energy: -97.831 tors. eta vs tors. theta energy: -140.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1569.412421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.412421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.412421 (E_RNA) where: Base-Base interactions energy: -1080.160 where: short stacking energy: -454.968 Base-Backbone interact. energy: 2.048 local terms energy: -491.300529 where: bonds (distance) C4'-P energy: -89.179 bonds (distance) P-C4' energy: -108.044 flat angles C4'-P-C4' energy: -114.294 flat angles P-C4'-P energy: -55.133 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: 7, replica: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1508.349002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.349002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.349002 (E_RNA) where: Base-Base interactions energy: -1012.113 where: short stacking energy: -450.498 Base-Backbone interact. energy: -2.110 local terms energy: -494.126045 where: bonds (distance) C4'-P energy: -89.556 bonds (distance) P-C4' energy: -108.148 flat angles C4'-P-C4' energy: -111.218 flat angles P-C4'-P energy: -61.529 tors. eta vs tors. theta energy: -123.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1234.182627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.182627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.182627 (E_RNA) where: Base-Base interactions energy: -764.768 where: short stacking energy: -342.965 Base-Backbone interact. energy: -4.150 local terms energy: -465.264968 where: bonds (distance) C4'-P energy: -85.835 bonds (distance) P-C4' energy: -111.107 flat angles C4'-P-C4' energy: -107.989 flat angles P-C4'-P energy: -70.101 tors. eta vs tors. theta energy: -90.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1027.534237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.534237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.534237 (E_RNA) where: Base-Base interactions energy: -608.982 where: short stacking energy: -267.347 Base-Backbone interact. energy: 1.660 local terms energy: -420.212033 where: bonds (distance) C4'-P energy: -94.883 bonds (distance) P-C4' energy: -106.764 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -76.915 tors. eta vs tors. theta energy: -40.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -547.785964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.785964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.785964 (E_RNA) where: Base-Base interactions energy: -246.129 where: short stacking energy: -145.051 Base-Backbone interact. energy: -1.259 local terms energy: -300.398338 where: bonds (distance) C4'-P energy: -93.248 bonds (distance) P-C4' energy: -94.018 flat angles C4'-P-C4' energy: -75.944 flat angles P-C4'-P energy: -40.806 tors. eta vs tors. theta energy: 3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2077.396665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.396665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.396665 (E_RNA) where: Base-Base interactions energy: -1438.553 where: short stacking energy: -597.486 Base-Backbone interact. energy: -0.772 local terms energy: -638.071306 where: bonds (distance) C4'-P energy: -114.571 bonds (distance) P-C4' energy: -121.269 flat angles C4'-P-C4' energy: -143.023 flat angles P-C4'-P energy: -88.766 tors. eta vs tors. theta energy: -170.443 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: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2064.253251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.253251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.253251 (E_RNA) where: Base-Base interactions energy: -1423.512 where: short stacking energy: -574.271 Base-Backbone interact. energy: -1.294 local terms energy: -639.448193 where: bonds (distance) C4'-P energy: -110.097 bonds (distance) P-C4' energy: -120.015 flat angles C4'-P-C4' energy: -135.589 flat angles P-C4'-P energy: -103.607 tors. eta vs tors. theta energy: -170.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1981.321129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.321129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.321129 (E_RNA) where: Base-Base interactions energy: -1359.676 where: short stacking energy: -578.838 Base-Backbone interact. energy: -0.987 local terms energy: -620.658194 where: bonds (distance) C4'-P energy: -121.824 bonds (distance) P-C4' energy: -114.499 flat angles C4'-P-C4' energy: -130.541 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: -181.761 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: 478 Temperature: 1.050000 Total energy: -1854.300848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.300848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.300848 (E_RNA) where: Base-Base interactions energy: -1270.583 where: short stacking energy: -501.712 Base-Backbone interact. energy: 4.773 local terms energy: -588.490697 where: bonds (distance) C4'-P energy: -113.603 bonds (distance) P-C4' energy: -122.923 flat angles C4'-P-C4' energy: -126.153 flat angles P-C4'-P energy: -77.203 tors. eta vs tors. theta energy: -148.609 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: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1773.735034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.735034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.735034 (E_RNA) where: Base-Base interactions energy: -1215.448 where: short stacking energy: -514.314 Base-Backbone interact. energy: -1.291 local terms energy: -556.996501 where: bonds (distance) C4'-P energy: -92.943 bonds (distance) P-C4' energy: -123.055 flat angles C4'-P-C4' energy: -111.832 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -135.887 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: 478 Temperature: 1.150000 Total energy: -1566.096160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.096160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.096160 (E_RNA) where: Base-Base interactions energy: -1055.394 where: short stacking energy: -464.827 Base-Backbone interact. energy: -0.182 local terms energy: -510.520334 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -94.293 flat angles C4'-P-C4' energy: -117.598 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -128.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1443.476782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.476782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.476782 (E_RNA) where: Base-Base interactions energy: -972.917 where: short stacking energy: -437.213 Base-Backbone interact. energy: -0.313 local terms energy: -470.247335 where: bonds (distance) C4'-P energy: -81.569 bonds (distance) P-C4' energy: -110.495 flat angles C4'-P-C4' energy: -103.571 flat angles P-C4'-P energy: -72.894 tors. eta vs tors. theta energy: -101.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1178.381487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.381487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.381487 (E_RNA) where: Base-Base interactions energy: -767.559 where: short stacking energy: -339.640 Base-Backbone interact. energy: -1.767 local terms energy: -409.055317 where: bonds (distance) C4'-P energy: -91.949 bonds (distance) P-C4' energy: -94.668 flat angles C4'-P-C4' energy: -99.548 flat angles P-C4'-P energy: -61.210 tors. eta vs tors. theta energy: -61.679 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: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -966.110305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.110305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.110305 (E_RNA) where: Base-Base interactions energy: -573.946 where: short stacking energy: -256.092 Base-Backbone interact. energy: -0.540 local terms energy: -391.624720 where: bonds (distance) C4'-P energy: -102.870 bonds (distance) P-C4' energy: -95.231 flat angles C4'-P-C4' energy: -102.534 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -39.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -555.746895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.746895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.746895 (E_RNA) where: Base-Base interactions energy: -242.390 where: short stacking energy: -159.284 Base-Backbone interact. energy: 4.869 local terms energy: -318.225820 where: bonds (distance) C4'-P energy: -88.121 bonds (distance) P-C4' energy: -108.620 flat angles C4'-P-C4' energy: -89.857 flat angles P-C4'-P energy: -39.280 tors. eta vs tors. theta energy: 7.652 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: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2077.193704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.193704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.193704 (E_RNA) where: Base-Base interactions energy: -1444.739 where: short stacking energy: -594.369 Base-Backbone interact. energy: -3.162 local terms energy: -629.292671 where: bonds (distance) C4'-P energy: -104.891 bonds (distance) P-C4' energy: -127.282 flat angles C4'-P-C4' energy: -132.530 flat angles P-C4'-P energy: -89.269 tors. eta vs tors. theta energy: -175.320 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: 5 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2033.017526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.017526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.017526 (E_RNA) where: Base-Base interactions energy: -1396.433 where: short stacking energy: -590.374 Base-Backbone interact. energy: -1.818 local terms energy: -634.766708 where: bonds (distance) C4'-P energy: -111.462 bonds (distance) P-C4' energy: -119.706 flat angles C4'-P-C4' energy: -134.633 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -184.754 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: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1984.712248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.712248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.712248 (E_RNA) where: Base-Base interactions energy: -1361.088 where: short stacking energy: -581.419 Base-Backbone interact. energy: -1.612 local terms energy: -622.012039 where: bonds (distance) C4'-P energy: -103.799 bonds (distance) P-C4' energy: -121.342 flat angles C4'-P-C4' energy: -127.833 flat angles P-C4'-P energy: -87.600 tors. eta vs tors. theta energy: -181.438 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: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1879.851545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.851545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.851545 (E_RNA) where: Base-Base interactions energy: -1303.142 where: short stacking energy: -562.890 Base-Backbone interact. energy: -1.724 local terms energy: -574.985295 where: bonds (distance) C4'-P energy: -114.973 bonds (distance) P-C4' energy: -87.824 flat angles C4'-P-C4' energy: -128.665 flat angles P-C4'-P energy: -83.565 tors. eta vs tors. theta energy: -159.960 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: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1749.783148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.783148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.783148 (E_RNA) where: Base-Base interactions energy: -1218.078 where: short stacking energy: -496.987 Base-Backbone interact. energy: -5.249 local terms energy: -526.457140 where: bonds (distance) C4'-P energy: -102.444 bonds (distance) P-C4' energy: -113.014 flat angles C4'-P-C4' energy: -111.279 flat angles P-C4'-P energy: -69.726 tors. eta vs tors. theta energy: -129.995 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: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1564.929285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.929285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.929285 (E_RNA) where: Base-Base interactions energy: -1030.423 where: short stacking energy: -454.250 Base-Backbone interact. energy: -1.032 local terms energy: -533.474968 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -110.899 flat angles C4'-P-C4' energy: -118.895 flat angles P-C4'-P energy: -77.185 tors. eta vs tors. theta energy: -118.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1464.319110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.319110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.319110 (E_RNA) where: Base-Base interactions energy: -1009.741 where: short stacking energy: -426.791 Base-Backbone interact. energy: -0.272 local terms energy: -454.306046 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -91.944 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -73.812 tors. eta vs tors. theta energy: -113.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1205.159084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.159084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.159084 (E_RNA) where: Base-Base interactions energy: -784.863 where: short stacking energy: -332.907 Base-Backbone interact. energy: -1.272 local terms energy: -419.024139 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -98.183 flat angles C4'-P-C4' energy: -104.313 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -77.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -914.281282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.281282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.281282 (E_RNA) where: Base-Base interactions energy: -561.859 where: short stacking energy: -284.407 Base-Backbone interact. energy: 3.970 local terms energy: -356.392682 where: bonds (distance) C4'-P energy: -90.640 bonds (distance) P-C4' energy: -95.271 flat angles C4'-P-C4' energy: -82.037 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -41.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -553.312607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.312607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.312607 (E_RNA) where: Base-Base interactions energy: -237.171 where: short stacking energy: -141.924 Base-Backbone interact. energy: -3.292 local terms energy: -312.849312 where: bonds (distance) C4'-P energy: -74.459 bonds (distance) P-C4' energy: -94.827 flat angles C4'-P-C4' energy: -98.909 flat angles P-C4'-P energy: -52.276 tors. eta vs tors. theta energy: 7.622 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: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2091.545576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.545576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.545576 (E_RNA) where: Base-Base interactions energy: -1445.264 where: short stacking energy: -603.004 Base-Backbone interact. energy: -1.654 local terms energy: -644.628513 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -118.624 flat angles C4'-P-C4' energy: -141.941 flat angles P-C4'-P energy: -83.232 tors. eta vs tors. theta energy: -179.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2035.164635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.164635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.164635 (E_RNA) where: Base-Base interactions energy: -1397.673 where: short stacking energy: -607.016 Base-Backbone interact. energy: -0.193 local terms energy: -637.298254 where: bonds (distance) C4'-P energy: -112.849 bonds (distance) P-C4' energy: -117.332 flat angles C4'-P-C4' energy: -136.010 flat angles P-C4'-P energy: -93.954 tors. eta vs tors. theta energy: -177.154 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: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2000.851762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.851762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.851762 (E_RNA) where: Base-Base interactions energy: -1397.892 where: short stacking energy: -592.664 Base-Backbone interact. energy: 5.587 local terms energy: -608.547170 where: bonds (distance) C4'-P energy: -118.601 bonds (distance) P-C4' energy: -115.883 flat angles C4'-P-C4' energy: -119.575 flat angles P-C4'-P energy: -73.233 tors. eta vs tors. theta energy: -181.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1892.203722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.203722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.203722 (E_RNA) where: Base-Base interactions energy: -1321.208 where: short stacking energy: -546.917 Base-Backbone interact. energy: -2.144 local terms energy: -568.851839 where: bonds (distance) C4'-P energy: -106.130 bonds (distance) P-C4' energy: -100.704 flat angles C4'-P-C4' energy: -133.259 flat angles P-C4'-P energy: -78.415 tors. eta vs tors. theta energy: -150.344 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: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1721.628759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.628759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.628759 (E_RNA) where: Base-Base interactions energy: -1168.866 where: short stacking energy: -499.952 Base-Backbone interact. energy: 0.713 local terms energy: -553.476370 where: bonds (distance) C4'-P energy: -96.733 bonds (distance) P-C4' energy: -110.347 flat angles C4'-P-C4' energy: -120.896 flat angles P-C4'-P energy: -85.842 tors. eta vs tors. theta energy: -139.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1589.489078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.489078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.489078 (E_RNA) where: Base-Base interactions energy: -1073.485 where: short stacking energy: -450.179 Base-Backbone interact. energy: -0.134 local terms energy: -515.870408 where: bonds (distance) C4'-P energy: -101.519 bonds (distance) P-C4' energy: -107.813 flat angles C4'-P-C4' energy: -125.006 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -121.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1454.250301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.250301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.250301 (E_RNA) where: Base-Base interactions energy: -978.784 where: short stacking energy: -415.941 Base-Backbone interact. energy: -0.777 local terms energy: -474.689506 where: bonds (distance) C4'-P energy: -103.240 bonds (distance) P-C4' energy: -100.281 flat angles C4'-P-C4' energy: -113.179 flat angles P-C4'-P energy: -54.174 tors. eta vs tors. theta energy: -103.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1222.329578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.329578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.329578 (E_RNA) where: Base-Base interactions energy: -798.232 where: short stacking energy: -376.765 Base-Backbone interact. energy: 2.928 local terms energy: -427.025880 where: bonds (distance) C4'-P energy: -72.076 bonds (distance) P-C4' energy: -101.068 flat angles C4'-P-C4' energy: -103.076 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -82.405 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: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -933.119664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.119664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.119664 (E_RNA) where: Base-Base interactions energy: -552.263 where: short stacking energy: -248.797 Base-Backbone interact. energy: 0.166 local terms energy: -381.022401 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -103.057 flat angles C4'-P-C4' energy: -109.518 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -26.406 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: 480 Temperature: 1.350000 Total energy: -525.392487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.392487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.392487 (E_RNA) where: Base-Base interactions energy: -226.132 where: short stacking energy: -151.724 Base-Backbone interact. energy: 1.872 local terms energy: -301.131919 where: bonds (distance) C4'-P energy: -85.828 bonds (distance) P-C4' energy: -89.943 flat angles C4'-P-C4' energy: -86.536 flat angles P-C4'-P energy: -50.623 tors. eta vs tors. theta energy: 11.798 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: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2126.802534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.802534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.802534 (E_RNA) where: Base-Base interactions energy: -1483.836 where: short stacking energy: -619.852 Base-Backbone interact. energy: -3.157 local terms energy: -639.809786 where: bonds (distance) C4'-P energy: -112.138 bonds (distance) P-C4' energy: -120.241 flat angles C4'-P-C4' energy: -137.745 flat angles P-C4'-P energy: -91.769 tors. eta vs tors. theta energy: -177.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2037.517605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.517605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.517605 (E_RNA) where: Base-Base interactions energy: -1415.769 where: short stacking energy: -588.179 Base-Backbone interact. energy: -1.626 local terms energy: -620.123116 where: bonds (distance) C4'-P energy: -123.150 bonds (distance) P-C4' energy: -102.595 flat angles C4'-P-C4' energy: -129.741 flat angles P-C4'-P energy: -92.635 tors. eta vs tors. theta energy: -172.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1991.133025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.133025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.133025 (E_RNA) where: Base-Base interactions energy: -1364.173 where: short stacking energy: -571.226 Base-Backbone interact. energy: 2.224 local terms energy: -629.184883 where: bonds (distance) C4'-P energy: -123.020 bonds (distance) P-C4' energy: -121.734 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -82.111 tors. eta vs tors. theta energy: -180.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1856.885851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.885851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.885851 (E_RNA) where: Base-Base interactions energy: -1293.505 where: short stacking energy: -528.341 Base-Backbone interact. energy: -1.358 local terms energy: -562.022946 where: bonds (distance) C4'-P energy: -97.918 bonds (distance) P-C4' energy: -108.925 flat angles C4'-P-C4' energy: -118.722 flat angles P-C4'-P energy: -81.063 tors. eta vs tors. theta energy: -155.395 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: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1765.302580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.302580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.302580 (E_RNA) where: Base-Base interactions energy: -1206.440 where: short stacking energy: -481.636 Base-Backbone interact. energy: -1.197 local terms energy: -557.665276 where: bonds (distance) C4'-P energy: -112.666 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -116.179 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -149.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1584.900516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.900516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.900516 (E_RNA) where: Base-Base interactions energy: -1059.019 where: short stacking energy: -464.369 Base-Backbone interact. energy: -0.647 local terms energy: -525.234511 where: bonds (distance) C4'-P energy: -113.273 bonds (distance) P-C4' energy: -108.025 flat angles C4'-P-C4' energy: -126.743 flat angles P-C4'-P energy: -63.964 tors. eta vs tors. theta energy: -113.230 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: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1495.017531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.017531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.017531 (E_RNA) where: Base-Base interactions energy: -1024.210 where: short stacking energy: -427.697 Base-Backbone interact. energy: -0.256 local terms energy: -470.551441 where: bonds (distance) C4'-P energy: -99.926 bonds (distance) P-C4' energy: -106.599 flat angles C4'-P-C4' energy: -97.244 flat angles P-C4'-P energy: -62.530 tors. eta vs tors. theta energy: -104.253 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: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1222.232892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.232892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.232892 (E_RNA) where: Base-Base interactions energy: -794.184 where: short stacking energy: -366.570 Base-Backbone interact. energy: 7.310 local terms energy: -435.358145 where: bonds (distance) C4'-P energy: -88.167 bonds (distance) P-C4' energy: -103.792 flat angles C4'-P-C4' energy: -113.399 flat angles P-C4'-P energy: -70.222 tors. eta vs tors. theta energy: -59.777 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: 9, replica: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1012.031908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.031908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.031908 (E_RNA) where: Base-Base interactions energy: -625.470 where: short stacking energy: -275.549 Base-Backbone interact. energy: -0.993 local terms energy: -385.568630 where: bonds (distance) C4'-P energy: -99.774 bonds (distance) P-C4' energy: -113.810 flat angles C4'-P-C4' energy: -86.660 flat angles P-C4'-P energy: -56.089 tors. eta vs tors. theta energy: -29.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -555.974425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.974425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.974425 (E_RNA) where: Base-Base interactions energy: -230.670 where: short stacking energy: -157.347 Base-Backbone interact. energy: 4.582 local terms energy: -329.885976 where: bonds (distance) C4'-P energy: -105.946 bonds (distance) P-C4' energy: -101.575 flat angles C4'-P-C4' energy: -84.411 flat angles P-C4'-P energy: -55.171 tors. eta vs tors. theta energy: 17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2135.030279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.030279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.030279 (E_RNA) where: Base-Base interactions energy: -1483.074 where: short stacking energy: -608.527 Base-Backbone interact. energy: -1.564 local terms energy: -650.392630 where: bonds (distance) C4'-P energy: -116.529 bonds (distance) P-C4' energy: -121.246 flat angles C4'-P-C4' energy: -141.030 flat angles P-C4'-P energy: -89.227 tors. eta vs tors. theta energy: -182.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2067.789799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.789799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.789799 (E_RNA) where: Base-Base interactions energy: -1443.098 where: short stacking energy: -606.883 Base-Backbone interact. energy: -3.225 local terms energy: -621.467053 where: bonds (distance) C4'-P energy: -107.970 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -129.148 flat angles P-C4'-P energy: -97.472 tors. eta vs tors. theta energy: -183.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1965.508028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.508028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.508028 (E_RNA) where: Base-Base interactions energy: -1350.726 where: short stacking energy: -569.184 Base-Backbone interact. energy: -0.622 local terms energy: -614.159851 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -110.772 flat angles C4'-P-C4' energy: -140.891 flat angles P-C4'-P energy: -83.860 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: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1856.009217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.009217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.009217 (E_RNA) where: Base-Base interactions energy: -1290.002 where: short stacking energy: -532.309 Base-Backbone interact. energy: -2.418 local terms energy: -563.589989 where: bonds (distance) C4'-P energy: -104.345 bonds (distance) P-C4' energy: -120.716 flat angles C4'-P-C4' energy: -117.491 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -141.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1615.755338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.755338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.755338 (E_RNA) where: Base-Base interactions energy: -1096.481 where: short stacking energy: -481.178 Base-Backbone interact. energy: -2.418 local terms energy: -516.856287 where: bonds (distance) C4'-P energy: -97.643 bonds (distance) P-C4' energy: -109.805 flat angles C4'-P-C4' energy: -111.641 flat angles P-C4'-P energy: -71.735 tors. eta vs tors. theta energy: -126.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1737.589939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.589939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.589939 (E_RNA) where: Base-Base interactions energy: -1189.922 where: short stacking energy: -512.229 Base-Backbone interact. energy: -1.370 local terms energy: -546.297787 where: bonds (distance) C4'-P energy: -101.800 bonds (distance) P-C4' energy: -89.554 flat angles C4'-P-C4' energy: -123.056 flat angles P-C4'-P energy: -85.936 tors. eta vs tors. theta energy: -145.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1398.215870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.215870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.215870 (E_RNA) where: Base-Base interactions energy: -942.464 where: short stacking energy: -381.509 Base-Backbone interact. energy: 4.108 local terms energy: -459.859760 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -108.932 flat angles C4'-P-C4' energy: -108.460 flat angles P-C4'-P energy: -65.505 tors. eta vs tors. theta energy: -90.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1215.440778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.440778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.440778 (E_RNA) where: Base-Base interactions energy: -765.991 where: short stacking energy: -326.920 Base-Backbone interact. energy: -0.199 local terms energy: -449.250313 where: bonds (distance) C4'-P energy: -87.417 bonds (distance) P-C4' energy: -98.544 flat angles C4'-P-C4' energy: -107.605 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -87.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1011.110047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.110047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.110047 (E_RNA) where: Base-Base interactions energy: -619.093 where: short stacking energy: -269.278 Base-Backbone interact. energy: 1.544 local terms energy: -393.561323 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -103.121 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -23.557 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: 482 Temperature: 1.350000 Total energy: -575.237346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.237346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.237346 (E_RNA) where: Base-Base interactions energy: -225.606 where: short stacking energy: -169.036 Base-Backbone interact. energy: 1.811 local terms energy: -351.442445 where: bonds (distance) C4'-P energy: -92.250 bonds (distance) P-C4' energy: -105.952 flat angles C4'-P-C4' energy: -80.446 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: -11.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2110.473169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.473169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.473169 (E_RNA) where: Base-Base interactions energy: -1460.150 where: short stacking energy: -610.956 Base-Backbone interact. energy: -2.925 local terms energy: -647.398198 where: bonds (distance) C4'-P energy: -112.114 bonds (distance) P-C4' energy: -128.496 flat angles C4'-P-C4' energy: -133.141 flat angles P-C4'-P energy: -83.805 tors. eta vs tors. theta energy: -189.843 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: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2042.408016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.408016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.408016 (E_RNA) where: Base-Base interactions energy: -1445.987 where: short stacking energy: -590.256 Base-Backbone interact. energy: -0.924 local terms energy: -595.496766 where: bonds (distance) C4'-P energy: -101.845 bonds (distance) P-C4' energy: -108.497 flat angles C4'-P-C4' energy: -133.471 flat angles P-C4'-P energy: -78.317 tors. eta vs tors. theta energy: -173.366 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: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1970.841374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.841374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.841374 (E_RNA) where: Base-Base interactions energy: -1354.221 where: short stacking energy: -556.502 Base-Backbone interact. energy: -6.032 local terms energy: -610.587840 where: bonds (distance) C4'-P energy: -111.022 bonds (distance) P-C4' energy: -110.546 flat angles C4'-P-C4' energy: -122.993 flat angles P-C4'-P energy: -88.290 tors. eta vs tors. theta energy: -177.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1857.027100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.027100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.027100 (E_RNA) where: Base-Base interactions energy: -1287.403 where: short stacking energy: -550.116 Base-Backbone interact. energy: -2.617 local terms energy: -567.006867 where: bonds (distance) C4'-P energy: -100.970 bonds (distance) P-C4' energy: -104.241 flat angles C4'-P-C4' energy: -128.942 flat angles P-C4'-P energy: -89.784 tors. eta vs tors. theta energy: -143.069 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: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1672.603599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.603599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.603599 (E_RNA) where: Base-Base interactions energy: -1138.617 where: short stacking energy: -499.296 Base-Backbone interact. energy: -2.370 local terms energy: -531.616392 where: bonds (distance) C4'-P energy: -115.713 bonds (distance) P-C4' energy: -104.196 flat angles C4'-P-C4' energy: -109.285 flat angles P-C4'-P energy: -82.151 tors. eta vs tors. theta energy: -120.271 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: 6, replica: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1687.173386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.173386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.173386 (E_RNA) where: Base-Base interactions energy: -1151.029 where: short stacking energy: -469.431 Base-Backbone interact. energy: -1.015 local terms energy: -535.128919 where: bonds (distance) C4'-P energy: -103.099 bonds (distance) P-C4' energy: -89.168 flat angles C4'-P-C4' energy: -120.726 flat angles P-C4'-P energy: -81.981 tors. eta vs tors. theta energy: -140.154 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: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1408.559014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.559014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.559014 (E_RNA) where: Base-Base interactions energy: -934.719 where: short stacking energy: -394.226 Base-Backbone interact. energy: -1.817 local terms energy: -472.022736 where: bonds (distance) C4'-P energy: -98.219 bonds (distance) P-C4' energy: -105.987 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -77.942 tors. eta vs tors. theta energy: -98.864 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: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1214.450495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.450495 (E_RNA) where: Base-Base interactions energy: -775.150 where: short stacking energy: -360.342 Base-Backbone interact. energy: 0.811 local terms energy: -440.111425 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -97.173 flat angles C4'-P-C4' energy: -101.296 flat angles P-C4'-P energy: -45.713 tors. eta vs tors. theta energy: -91.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1039.491889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.491889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.491889 (E_RNA) where: Base-Base interactions energy: -632.570 where: short stacking energy: -280.645 Base-Backbone interact. energy: -1.673 local terms energy: -405.248638 where: bonds (distance) C4'-P energy: -104.420 bonds (distance) P-C4' energy: -107.465 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -49.027 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: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -543.503460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.503460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.503460 (E_RNA) where: Base-Base interactions energy: -222.306 where: short stacking energy: -157.154 Base-Backbone interact. energy: -3.897 local terms energy: -317.300344 where: bonds (distance) C4'-P energy: -98.406 bonds (distance) P-C4' energy: -104.202 flat angles C4'-P-C4' energy: -78.275 flat angles P-C4'-P energy: -45.375 tors. eta vs tors. theta energy: 8.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2112.483440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.483440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.483440 (E_RNA) where: Base-Base interactions energy: -1466.573 where: short stacking energy: -618.331 Base-Backbone interact. energy: -4.004 local terms energy: -641.906877 where: bonds (distance) C4'-P energy: -119.335 bonds (distance) P-C4' energy: -120.067 flat angles C4'-P-C4' energy: -135.223 flat angles P-C4'-P energy: -87.336 tors. eta vs tors. theta energy: -179.946 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: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2071.048511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.048511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.048511 (E_RNA) where: Base-Base interactions energy: -1413.920 where: short stacking energy: -601.424 Base-Backbone interact. energy: -1.861 local terms energy: -655.268028 where: bonds (distance) C4'-P energy: -123.023 bonds (distance) P-C4' energy: -129.668 flat angles C4'-P-C4' energy: -136.009 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -178.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2014.143943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.143943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.143943 (E_RNA) where: Base-Base interactions energy: -1408.234 where: short stacking energy: -586.863 Base-Backbone interact. energy: -2.664 local terms energy: -603.246413 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -94.732 flat angles C4'-P-C4' energy: -130.700 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -189.038 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: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1865.139327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.139327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.139327 (E_RNA) where: Base-Base interactions energy: -1301.400 where: short stacking energy: -524.663 Base-Backbone interact. energy: -2.163 local terms energy: -561.576415 where: bonds (distance) C4'-P energy: -104.199 bonds (distance) P-C4' energy: -108.961 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -81.223 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: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1729.660641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.660641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.660641 (E_RNA) where: Base-Base interactions energy: -1179.750 where: short stacking energy: -489.786 Base-Backbone interact. energy: -1.849 local terms energy: -548.060848 where: bonds (distance) C4'-P energy: -117.709 bonds (distance) P-C4' energy: -115.881 flat angles C4'-P-C4' energy: -123.126 flat angles P-C4'-P energy: -66.967 tors. eta vs tors. theta energy: -124.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1574.879180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.879180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.879180 (E_RNA) where: Base-Base interactions energy: -1049.389 where: short stacking energy: -418.940 Base-Backbone interact. energy: -2.173 local terms energy: -523.317173 where: bonds (distance) C4'-P energy: -96.001 bonds (distance) P-C4' energy: -111.788 flat angles C4'-P-C4' energy: -114.875 flat angles P-C4'-P energy: -85.877 tors. eta vs tors. theta energy: -114.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1375.383057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.383057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.383057 (E_RNA) where: Base-Base interactions energy: -939.918 where: short stacking energy: -404.072 Base-Backbone interact. energy: -0.347 local terms energy: -435.118111 where: bonds (distance) C4'-P energy: -79.327 bonds (distance) P-C4' energy: -107.172 flat angles C4'-P-C4' energy: -105.974 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -98.750 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: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1192.344772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.344772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.344772 (E_RNA) where: Base-Base interactions energy: -784.709 where: short stacking energy: -334.277 Base-Backbone interact. energy: -3.387 local terms energy: -404.248971 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -91.719 flat angles C4'-P-C4' energy: -96.213 flat angles P-C4'-P energy: -58.978 tors. eta vs tors. theta energy: -57.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1079.844656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.844656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.844656 (E_RNA) where: Base-Base interactions energy: -672.281 where: short stacking energy: -299.521 Base-Backbone interact. energy: -3.240 local terms energy: -404.324169 where: bonds (distance) C4'-P energy: -112.249 bonds (distance) P-C4' energy: -81.306 flat angles C4'-P-C4' energy: -101.909 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -56.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -525.723011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.723011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.723011 (E_RNA) where: Base-Base interactions energy: -210.891 where: short stacking energy: -151.468 Base-Backbone interact. energy: 2.117 local terms energy: -316.949221 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -101.060 flat angles C4'-P-C4' energy: -89.819 flat angles P-C4'-P energy: -58.426 tors. eta vs tors. theta energy: 7.624 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: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2084.552610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.552610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.552610 (E_RNA) where: Base-Base interactions energy: -1419.848 where: short stacking energy: -577.753 Base-Backbone interact. energy: -3.248 local terms energy: -661.456668 where: bonds (distance) C4'-P energy: -118.115 bonds (distance) P-C4' energy: -133.507 flat angles C4'-P-C4' energy: -137.595 flat angles P-C4'-P energy: -93.383 tors. eta vs tors. theta energy: -178.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2060.663939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.663939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.663939 (E_RNA) where: Base-Base interactions energy: -1395.678 where: short stacking energy: -594.267 Base-Backbone interact. energy: 0.132 local terms energy: -665.118381 where: bonds (distance) C4'-P energy: -112.462 bonds (distance) P-C4' energy: -131.644 flat angles C4'-P-C4' energy: -130.719 flat angles P-C4'-P energy: -99.922 tors. eta vs tors. theta energy: -190.372 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: 485 Temperature: 1.000000 Total energy: -1963.548466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.548466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.548466 (E_RNA) where: Base-Base interactions energy: -1363.437 where: short stacking energy: -599.957 Base-Backbone interact. energy: -2.543 local terms energy: -597.568693 where: bonds (distance) C4'-P energy: -105.329 bonds (distance) P-C4' energy: -100.758 flat angles C4'-P-C4' energy: -122.033 flat angles P-C4'-P energy: -88.593 tors. eta vs tors. theta energy: -180.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1889.080821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.080821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.080821 (E_RNA) where: Base-Base interactions energy: -1324.616 where: short stacking energy: -553.022 Base-Backbone interact. energy: -2.099 local terms energy: -562.365909 where: bonds (distance) C4'-P energy: -101.629 bonds (distance) P-C4' energy: -111.575 flat angles C4'-P-C4' energy: -120.743 flat angles P-C4'-P energy: -83.415 tors. eta vs tors. theta energy: -145.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1770.664099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.664099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.664099 (E_RNA) where: Base-Base interactions energy: -1217.017 where: short stacking energy: -505.327 Base-Backbone interact. energy: 4.212 local terms energy: -557.858603 where: bonds (distance) C4'-P energy: -100.895 bonds (distance) P-C4' energy: -109.128 flat angles C4'-P-C4' energy: -119.461 flat angles P-C4'-P energy: -80.934 tors. eta vs tors. theta energy: -147.441 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: 485 Temperature: 1.150000 Total energy: -1585.330292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.330292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.330292 (E_RNA) where: Base-Base interactions energy: -1088.274 where: short stacking energy: -462.988 Base-Backbone interact. energy: -1.586 local terms energy: -495.470357 where: bonds (distance) C4'-P energy: -105.163 bonds (distance) P-C4' energy: -85.073 flat angles C4'-P-C4' energy: -113.017 flat angles P-C4'-P energy: -69.550 tors. eta vs tors. theta energy: -122.667 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: 485 Temperature: 1.200000 Total energy: -1458.485374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.485374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.485374 (E_RNA) where: Base-Base interactions energy: -998.655 where: short stacking energy: -435.575 Base-Backbone interact. energy: 3.423 local terms energy: -463.252882 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -99.884 flat angles C4'-P-C4' energy: -95.653 flat angles P-C4'-P energy: -63.680 tors. eta vs tors. theta energy: -109.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1194.392248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.392248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.392248 (E_RNA) where: Base-Base interactions energy: -764.342 where: short stacking energy: -351.062 Base-Backbone interact. energy: 2.040 local terms energy: -432.090592 where: bonds (distance) C4'-P energy: -106.563 bonds (distance) P-C4' energy: -103.212 flat angles C4'-P-C4' energy: -95.001 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -65.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1054.748489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.748489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.748489 (E_RNA) where: Base-Base interactions energy: -690.898 where: short stacking energy: -305.811 Base-Backbone interact. energy: 2.556 local terms energy: -366.406333 where: bonds (distance) C4'-P energy: -84.508 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -91.950 flat angles P-C4'-P energy: -46.968 tors. eta vs tors. theta energy: -46.039 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: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -499.407595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.407595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.407595 (E_RNA) where: Base-Base interactions energy: -197.050 where: short stacking energy: -140.594 Base-Backbone interact. energy: 3.390 local terms energy: -305.748107 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -92.888 flat angles C4'-P-C4' energy: -69.572 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: 11.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2128.650689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.650689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.650689 (E_RNA) where: Base-Base interactions energy: -1461.167 where: short stacking energy: -621.054 Base-Backbone interact. energy: -5.520 local terms energy: -661.963547 where: bonds (distance) C4'-P energy: -133.300 bonds (distance) P-C4' energy: -112.961 flat angles C4'-P-C4' energy: -134.507 flat angles P-C4'-P energy: -91.077 tors. eta vs tors. theta energy: -190.118 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: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2053.420982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.420982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.420982 (E_RNA) where: Base-Base interactions energy: -1399.065 where: short stacking energy: -586.435 Base-Backbone interact. energy: -1.651 local terms energy: -652.704969 where: bonds (distance) C4'-P energy: -112.359 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -140.536 flat angles P-C4'-P energy: -90.404 tors. eta vs tors. theta energy: -186.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1941.651718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.651718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.651718 (E_RNA) where: Base-Base interactions energy: -1338.538 where: short stacking energy: -567.120 Base-Backbone interact. energy: 0.539 local terms energy: -603.653455 where: bonds (distance) C4'-P energy: -112.846 bonds (distance) P-C4' energy: -123.221 flat angles C4'-P-C4' energy: -125.204 flat angles P-C4'-P energy: -78.381 tors. eta vs tors. theta energy: -164.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1888.811108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.811108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.811108 (E_RNA) where: Base-Base interactions energy: -1305.543 where: short stacking energy: -539.555 Base-Backbone interact. energy: -2.578 local terms energy: -580.689598 where: bonds (distance) C4'-P energy: -119.273 bonds (distance) P-C4' energy: -105.718 flat angles C4'-P-C4' energy: -128.053 flat angles P-C4'-P energy: -84.599 tors. eta vs tors. theta energy: -143.046 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: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1746.176761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.176761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.176761 (E_RNA) where: Base-Base interactions energy: -1231.517 where: short stacking energy: -526.869 Base-Backbone interact. energy: 3.600 local terms energy: -518.258948 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -102.620 flat angles C4'-P-C4' energy: -118.864 flat angles P-C4'-P energy: -69.722 tors. eta vs tors. theta energy: -148.419 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: 486 Temperature: 1.150000 Total energy: -1572.431052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.431052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.431052 (E_RNA) where: Base-Base interactions energy: -1078.441 where: short stacking energy: -447.603 Base-Backbone interact. energy: -1.218 local terms energy: -492.772210 where: bonds (distance) C4'-P energy: -99.641 bonds (distance) P-C4' energy: -111.401 flat angles C4'-P-C4' energy: -102.924 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -119.410 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: 10 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1483.516639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.516639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.516639 (E_RNA) where: Base-Base interactions energy: -975.787 where: short stacking energy: -404.407 Base-Backbone interact. energy: -2.668 local terms energy: -505.061802 where: bonds (distance) C4'-P energy: -109.733 bonds (distance) P-C4' energy: -102.625 flat angles C4'-P-C4' energy: -110.644 flat angles P-C4'-P energy: -79.466 tors. eta vs tors. theta energy: -102.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1199.527530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.527530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.527530 (E_RNA) where: Base-Base interactions energy: -772.520 where: short stacking energy: -351.404 Base-Backbone interact. energy: -1.718 local terms energy: -425.289552 where: bonds (distance) C4'-P energy: -98.953 bonds (distance) P-C4' energy: -92.120 flat angles C4'-P-C4' energy: -100.093 flat angles P-C4'-P energy: -60.984 tors. eta vs tors. theta energy: -73.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1055.179988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.179988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.179988 (E_RNA) where: Base-Base interactions energy: -647.609 where: short stacking energy: -300.999 Base-Backbone interact. energy: -2.268 local terms energy: -405.302366 where: bonds (distance) C4'-P energy: -115.873 bonds (distance) P-C4' energy: -102.768 flat angles C4'-P-C4' energy: -89.966 flat angles P-C4'-P energy: -57.557 tors. eta vs tors. theta energy: -39.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -516.736249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.736249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.736249 (E_RNA) where: Base-Base interactions energy: -219.045 where: short stacking energy: -141.732 Base-Backbone interact. energy: 0.276 local terms energy: -297.967842 where: bonds (distance) C4'-P energy: -86.810 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -75.022 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2087.719769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.719769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.719769 (E_RNA) where: Base-Base interactions energy: -1428.116 where: short stacking energy: -607.248 Base-Backbone interact. energy: -1.373 local terms energy: -658.230508 where: bonds (distance) C4'-P energy: -128.908 bonds (distance) P-C4' energy: -113.006 flat angles C4'-P-C4' energy: -147.648 flat angles P-C4'-P energy: -90.669 tors. eta vs tors. theta energy: -178.000 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: 487 Temperature: 0.950000 Total energy: -2034.380538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.380538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.380538 (E_RNA) where: Base-Base interactions energy: -1395.404 where: short stacking energy: -611.842 Base-Backbone interact. energy: 0.848 local terms energy: -639.824149 where: bonds (distance) C4'-P energy: -109.503 bonds (distance) P-C4' energy: -122.447 flat angles C4'-P-C4' energy: -127.644 flat angles P-C4'-P energy: -95.676 tors. eta vs tors. theta energy: -184.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1935.203620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.203620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.203620 (E_RNA) where: Base-Base interactions energy: -1345.671 where: short stacking energy: -574.376 Base-Backbone interact. energy: -0.352 local terms energy: -589.180318 where: bonds (distance) C4'-P energy: -105.914 bonds (distance) P-C4' energy: -114.446 flat angles C4'-P-C4' energy: -129.770 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -163.435 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: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1880.136382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.136382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.136382 (E_RNA) where: Base-Base interactions energy: -1303.646 where: short stacking energy: -532.918 Base-Backbone interact. energy: -1.232 local terms energy: -575.257997 where: bonds (distance) C4'-P energy: -108.702 bonds (distance) P-C4' energy: -101.535 flat angles C4'-P-C4' energy: -139.031 flat angles P-C4'-P energy: -73.053 tors. eta vs tors. theta energy: -152.937 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: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1768.885560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.885560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.885560 (E_RNA) where: Base-Base interactions energy: -1268.197 where: short stacking energy: -503.423 Base-Backbone interact. energy: -3.806 local terms energy: -496.882730 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -105.074 flat angles C4'-P-C4' energy: -114.118 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -128.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1535.790397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.790397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.790397 (E_RNA) where: Base-Base interactions energy: -1020.527 where: short stacking energy: -424.425 Base-Backbone interact. energy: 3.583 local terms energy: -518.846212 where: bonds (distance) C4'-P energy: -105.275 bonds (distance) P-C4' energy: -106.206 flat angles C4'-P-C4' energy: -124.824 flat angles P-C4'-P energy: -74.191 tors. eta vs tors. theta energy: -108.349 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: 7, replica: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1517.013432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.013432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.013432 (E_RNA) where: Base-Base interactions energy: -1004.212 where: short stacking energy: -410.141 Base-Backbone interact. energy: 3.867 local terms energy: -516.668357 where: bonds (distance) C4'-P energy: -99.238 bonds (distance) P-C4' energy: -119.213 flat angles C4'-P-C4' energy: -114.022 flat angles P-C4'-P energy: -65.139 tors. eta vs tors. theta energy: -119.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1162.103286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.103286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.103286 (E_RNA) where: Base-Base interactions energy: -730.096 where: short stacking energy: -306.605 Base-Backbone interact. energy: 2.782 local terms energy: -434.789386 where: bonds (distance) C4'-P energy: -115.674 bonds (distance) P-C4' energy: -104.491 flat angles C4'-P-C4' energy: -90.595 flat angles P-C4'-P energy: -67.531 tors. eta vs tors. theta energy: -56.498 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: 9, replica: 4 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -972.205137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.205137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.205137 (E_RNA) where: Base-Base interactions energy: -582.932 where: short stacking energy: -264.295 Base-Backbone interact. energy: 0.899 local terms energy: -390.172233 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -112.038 flat angles C4'-P-C4' energy: -101.753 flat angles P-C4'-P energy: -57.185 tors. eta vs tors. theta energy: -35.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -505.449636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.449636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.449636 (E_RNA) where: Base-Base interactions energy: -205.238 where: short stacking energy: -153.647 Base-Backbone interact. energy: -0.677 local terms energy: -299.534518 where: bonds (distance) C4'-P energy: -101.150 bonds (distance) P-C4' energy: -85.551 flat angles C4'-P-C4' energy: -75.347 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: 8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2086.323992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.323992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.323992 (E_RNA) where: Base-Base interactions energy: -1457.877 where: short stacking energy: -602.491 Base-Backbone interact. energy: -4.102 local terms energy: -624.345147 where: bonds (distance) C4'-P energy: -102.273 bonds (distance) P-C4' energy: -120.637 flat angles C4'-P-C4' energy: -135.800 flat angles P-C4'-P energy: -78.626 tors. eta vs tors. theta energy: -187.009 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: 488 Temperature: 0.950000 Total energy: -2034.786446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.786446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.786446 (E_RNA) where: Base-Base interactions energy: -1387.858 where: short stacking energy: -596.629 Base-Backbone interact. energy: -1.209 local terms energy: -645.719526 where: bonds (distance) C4'-P energy: -123.172 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -124.805 flat angles P-C4'-P energy: -85.922 tors. eta vs tors. theta energy: -189.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1941.642230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.642230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.642230 (E_RNA) where: Base-Base interactions energy: -1346.267 where: short stacking energy: -563.714 Base-Backbone interact. energy: -1.918 local terms energy: -593.456928 where: bonds (distance) C4'-P energy: -92.820 bonds (distance) P-C4' energy: -99.230 flat angles C4'-P-C4' energy: -136.182 flat angles P-C4'-P energy: -95.765 tors. eta vs tors. theta energy: -169.460 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: 488 Temperature: 1.050000 Total energy: -1874.702563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.702563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.702563 (E_RNA) where: Base-Base interactions energy: -1302.290 where: short stacking energy: -550.184 Base-Backbone interact. energy: -1.065 local terms energy: -571.348110 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -121.882 flat angles C4'-P-C4' energy: -109.233 flat angles P-C4'-P energy: -88.936 tors. eta vs tors. theta energy: -155.916 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: 9 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1763.624208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.624208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.624208 (E_RNA) where: Base-Base interactions energy: -1216.778 where: short stacking energy: -528.294 Base-Backbone interact. energy: -0.888 local terms energy: -545.958327 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -104.094 flat angles C4'-P-C4' energy: -100.055 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -155.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1542.859166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.859166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.859166 (E_RNA) where: Base-Base interactions energy: -1031.586 where: short stacking energy: -449.087 Base-Backbone interact. energy: -6.405 local terms energy: -504.868773 where: bonds (distance) C4'-P energy: -110.630 bonds (distance) P-C4' energy: -97.390 flat angles C4'-P-C4' energy: -109.382 flat angles P-C4'-P energy: -71.452 tors. eta vs tors. theta energy: -116.015 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: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1512.209453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.209453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.209453 (E_RNA) where: Base-Base interactions energy: -1059.690 where: short stacking energy: -451.729 Base-Backbone interact. energy: 0.032 local terms energy: -452.551814 where: bonds (distance) C4'-P energy: -86.242 bonds (distance) P-C4' energy: -80.022 flat angles C4'-P-C4' energy: -106.628 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -114.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1140.087511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.087511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.087511 (E_RNA) where: Base-Base interactions energy: -743.360 where: short stacking energy: -331.238 Base-Backbone interact. energy: 6.125 local terms energy: -402.853066 where: bonds (distance) C4'-P energy: -93.051 bonds (distance) P-C4' energy: -101.406 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -57.213 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: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -935.307530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.307530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.307530 (E_RNA) where: Base-Base interactions energy: -563.527 where: short stacking energy: -283.681 Base-Backbone interact. energy: -1.362 local terms energy: -370.417931 where: bonds (distance) C4'-P energy: -81.358 bonds (distance) P-C4' energy: -95.483 flat angles C4'-P-C4' energy: -100.055 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -41.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -518.601759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.601759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.601759 (E_RNA) where: Base-Base interactions energy: -211.456 where: short stacking energy: -146.468 Base-Backbone interact. energy: -0.616 local terms energy: -306.529909 where: bonds (distance) C4'-P energy: -103.506 bonds (distance) P-C4' energy: -108.744 flat angles C4'-P-C4' energy: -56.654 flat angles P-C4'-P energy: -51.213 tors. eta vs tors. theta energy: 13.588 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: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2096.367993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.367993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.367993 (E_RNA) where: Base-Base interactions energy: -1432.909 where: short stacking energy: -621.384 Base-Backbone interact. energy: -3.613 local terms energy: -659.846691 where: bonds (distance) C4'-P energy: -124.290 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -138.608 flat angles P-C4'-P energy: -89.322 tors. eta vs tors. theta energy: -189.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2096.011788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.011788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.011788 (E_RNA) where: Base-Base interactions energy: -1451.798 where: short stacking energy: -593.098 Base-Backbone interact. energy: -1.482 local terms energy: -642.731483 where: bonds (distance) C4'-P energy: -121.264 bonds (distance) P-C4' energy: -105.757 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -85.452 tors. eta vs tors. theta energy: -191.251 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: 3, replica: 5 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1982.995015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.995015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.995015 (E_RNA) where: Base-Base interactions energy: -1364.559 where: short stacking energy: -571.583 Base-Backbone interact. energy: -1.817 local terms energy: -616.619409 where: bonds (distance) C4'-P energy: -116.898 bonds (distance) P-C4' energy: -111.714 flat angles C4'-P-C4' energy: -136.854 flat angles P-C4'-P energy: -92.298 tors. eta vs tors. theta energy: -158.855 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: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1889.913809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.913809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.913809 (E_RNA) where: Base-Base interactions energy: -1301.233 where: short stacking energy: -543.805 Base-Backbone interact. energy: -2.464 local terms energy: -586.217090 where: bonds (distance) C4'-P energy: -103.478 bonds (distance) P-C4' energy: -117.119 flat angles C4'-P-C4' energy: -135.372 flat angles P-C4'-P energy: -81.121 tors. eta vs tors. theta energy: -149.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1803.607116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.607116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.607116 (E_RNA) where: Base-Base interactions energy: -1238.184 where: short stacking energy: -534.931 Base-Backbone interact. energy: -1.885 local terms energy: -563.537577 where: bonds (distance) C4'-P energy: -113.318 bonds (distance) P-C4' energy: -122.635 flat angles C4'-P-C4' energy: -103.900 flat angles P-C4'-P energy: -68.249 tors. eta vs tors. theta energy: -155.435 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: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1612.723920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.723920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.723920 (E_RNA) where: Base-Base interactions energy: -1097.362 where: short stacking energy: -480.564 Base-Backbone interact. energy: -1.862 local terms energy: -513.500492 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -98.901 flat angles C4'-P-C4' energy: -109.913 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -131.722 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: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1506.230887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.230887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.230887 (E_RNA) where: Base-Base interactions energy: -1014.915 where: short stacking energy: -411.192 Base-Backbone interact. energy: -1.179 local terms energy: -490.136661 where: bonds (distance) C4'-P energy: -93.973 bonds (distance) P-C4' energy: -107.573 flat angles C4'-P-C4' energy: -113.904 flat angles P-C4'-P energy: -65.414 tors. eta vs tors. theta energy: -109.274 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: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1099.887604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.887604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.887604 (E_RNA) where: Base-Base interactions energy: -677.556 where: short stacking energy: -308.501 Base-Backbone interact. energy: -2.379 local terms energy: -419.952581 where: bonds (distance) C4'-P energy: -84.551 bonds (distance) P-C4' energy: -84.924 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -65.090 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: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -911.848502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.848502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.848502 (E_RNA) where: Base-Base interactions energy: -540.054 where: short stacking energy: -281.027 Base-Backbone interact. energy: -0.120 local terms energy: -371.674704 where: bonds (distance) C4'-P energy: -97.574 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -103.319 flat angles P-C4'-P energy: -45.060 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: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -560.379031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.379031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.379031 (E_RNA) where: Base-Base interactions energy: -258.016 where: short stacking energy: -147.373 Base-Backbone interact. energy: 0.103 local terms energy: -302.465802 where: bonds (distance) C4'-P energy: -81.636 bonds (distance) P-C4' energy: -88.649 flat angles C4'-P-C4' energy: -81.745 flat angles P-C4'-P energy: -61.202 tors. eta vs tors. theta energy: 10.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2086.659731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.659731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.659731 (E_RNA) where: Base-Base interactions energy: -1438.711 where: short stacking energy: -624.108 Base-Backbone interact. energy: -5.352 local terms energy: -642.596795 where: bonds (distance) C4'-P energy: -109.715 bonds (distance) P-C4' energy: -126.295 flat angles C4'-P-C4' energy: -135.988 flat angles P-C4'-P energy: -88.075 tors. eta vs tors. theta energy: -182.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2072.284509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.284509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.284509 (E_RNA) where: Base-Base interactions energy: -1417.386 where: short stacking energy: -581.879 Base-Backbone interact. energy: -2.637 local terms energy: -652.261364 where: bonds (distance) C4'-P energy: -129.646 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -126.966 flat angles P-C4'-P energy: -86.961 tors. eta vs tors. theta energy: -185.125 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: 3, replica: 5 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1970.745551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.745551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.745551 (E_RNA) where: Base-Base interactions energy: -1370.079 where: short stacking energy: -564.767 Base-Backbone interact. energy: -2.967 local terms energy: -597.700297 where: bonds (distance) C4'-P energy: -100.574 bonds (distance) P-C4' energy: -109.342 flat angles C4'-P-C4' energy: -132.626 flat angles P-C4'-P energy: -88.137 tors. eta vs tors. theta energy: -167.020 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: 4, replica: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1935.990665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.990665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.990665 (E_RNA) where: Base-Base interactions energy: -1347.470 where: short stacking energy: -536.754 Base-Backbone interact. energy: -3.529 local terms energy: -584.991491 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -118.049 flat angles C4'-P-C4' energy: -127.215 flat angles P-C4'-P energy: -86.773 tors. eta vs tors. theta energy: -149.935 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: 5, replica: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1786.740285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.740285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.740285 (E_RNA) where: Base-Base interactions energy: -1203.205 where: short stacking energy: -524.014 Base-Backbone interact. energy: 4.006 local terms energy: -587.540551 where: bonds (distance) C4'-P energy: -109.741 bonds (distance) P-C4' energy: -110.688 flat angles C4'-P-C4' energy: -123.848 flat angles P-C4'-P energy: -89.557 tors. eta vs tors. theta energy: -153.707 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: 490 Temperature: 1.150000 Total energy: -1592.958925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.958925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.958925 (E_RNA) where: Base-Base interactions energy: -1046.756 where: short stacking energy: -460.687 Base-Backbone interact. energy: 1.349 local terms energy: -547.552856 where: bonds (distance) C4'-P energy: -94.538 bonds (distance) P-C4' energy: -114.689 flat angles C4'-P-C4' energy: -118.927 flat angles P-C4'-P energy: -78.153 tors. eta vs tors. theta energy: -141.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1478.953761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.953761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.953761 (E_RNA) where: Base-Base interactions energy: -984.967 where: short stacking energy: -434.610 Base-Backbone interact. energy: -1.988 local terms energy: -491.998956 where: bonds (distance) C4'-P energy: -84.346 bonds (distance) P-C4' energy: -87.183 flat angles C4'-P-C4' energy: -120.218 flat angles P-C4'-P energy: -78.165 tors. eta vs tors. theta energy: -122.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1075.167186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.167186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.167186 (E_RNA) where: Base-Base interactions energy: -684.542 where: short stacking energy: -297.292 Base-Backbone interact. energy: 2.147 local terms energy: -392.772237 where: bonds (distance) C4'-P energy: -83.366 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -106.507 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -45.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -844.517856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.517856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.517856 (E_RNA) where: Base-Base interactions energy: -469.803 where: short stacking energy: -260.842 Base-Backbone interact. energy: -0.336 local terms energy: -374.379205 where: bonds (distance) C4'-P energy: -77.364 bonds (distance) P-C4' energy: -110.149 flat angles C4'-P-C4' energy: -103.652 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -31.686 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: 490 Temperature: 1.350000 Total energy: -536.853826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.853826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.853826 (E_RNA) where: Base-Base interactions energy: -223.184 where: short stacking energy: -163.023 Base-Backbone interact. energy: 1.213 local terms energy: -314.883539 where: bonds (distance) C4'-P energy: -103.224 bonds (distance) P-C4' energy: -99.919 flat angles C4'-P-C4' energy: -88.619 flat angles P-C4'-P energy: -19.230 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2070.269966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.269966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.269966 (E_RNA) where: Base-Base interactions energy: -1423.537 where: short stacking energy: -605.990 Base-Backbone interact. energy: -2.913 local terms energy: -643.819555 where: bonds (distance) C4'-P energy: -116.707 bonds (distance) P-C4' energy: -128.715 flat angles C4'-P-C4' energy: -142.529 flat angles P-C4'-P energy: -78.260 tors. eta vs tors. theta energy: -177.609 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: 2, replica: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2022.755165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.755165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.755165 (E_RNA) where: Base-Base interactions energy: -1400.915 where: short stacking energy: -596.190 Base-Backbone interact. energy: -1.251 local terms energy: -620.589685 where: bonds (distance) C4'-P energy: -112.809 bonds (distance) P-C4' energy: -126.381 flat angles C4'-P-C4' energy: -119.100 flat angles P-C4'-P energy: -76.660 tors. eta vs tors. theta energy: -185.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1959.251996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.251996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.251996 (E_RNA) where: Base-Base interactions energy: -1348.788 where: short stacking energy: -550.850 Base-Backbone interact. energy: -4.703 local terms energy: -605.761165 where: bonds (distance) C4'-P energy: -119.669 bonds (distance) P-C4' energy: -117.212 flat angles C4'-P-C4' energy: -130.857 flat angles P-C4'-P energy: -83.158 tors. eta vs tors. theta energy: -154.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1884.500640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.500640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.500640 (E_RNA) where: Base-Base interactions energy: -1312.915 where: short stacking energy: -550.400 Base-Backbone interact. energy: -0.035 local terms energy: -571.550646 where: bonds (distance) C4'-P energy: -102.852 bonds (distance) P-C4' energy: -111.910 flat angles C4'-P-C4' energy: -122.983 flat angles P-C4'-P energy: -72.930 tors. eta vs tors. theta energy: -160.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1704.834286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.834286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.834286 (E_RNA) where: Base-Base interactions energy: -1157.760 where: short stacking energy: -494.438 Base-Backbone interact. energy: -1.710 local terms energy: -545.364855 where: bonds (distance) C4'-P energy: -106.895 bonds (distance) P-C4' energy: -111.387 flat angles C4'-P-C4' energy: -124.830 flat angles P-C4'-P energy: -71.573 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: 491 Temperature: 1.150000 Total energy: -1587.773170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.773170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.773170 (E_RNA) where: Base-Base interactions energy: -1060.111 where: short stacking energy: -447.001 Base-Backbone interact. energy: 1.007 local terms energy: -528.669017 where: bonds (distance) C4'-P energy: -100.278 bonds (distance) P-C4' energy: -100.447 flat angles C4'-P-C4' energy: -116.103 flat angles P-C4'-P energy: -78.293 tors. eta vs tors. theta energy: -133.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1500.341844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.341844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.341844 (E_RNA) where: Base-Base interactions energy: -989.992 where: short stacking energy: -417.062 Base-Backbone interact. energy: -1.971 local terms energy: -508.379021 where: bonds (distance) C4'-P energy: -99.075 bonds (distance) P-C4' energy: -107.327 flat angles C4'-P-C4' energy: -118.845 flat angles P-C4'-P energy: -68.125 tors. eta vs tors. theta energy: -115.007 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: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1151.707832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.707832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.707832 (E_RNA) where: Base-Base interactions energy: -740.369 where: short stacking energy: -350.990 Base-Backbone interact. energy: -0.351 local terms energy: -410.988178 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -92.039 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -63.886 tors. eta vs tors. theta energy: -72.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -853.699285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.699285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.699285 (E_RNA) where: Base-Base interactions energy: -511.092 where: short stacking energy: -224.911 Base-Backbone interact. energy: 3.042 local terms energy: -345.648540 where: bonds (distance) C4'-P energy: -90.874 bonds (distance) P-C4' energy: -99.340 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -46.498 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -538.651397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.651397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.651397 (E_RNA) where: Base-Base interactions energy: -245.542 where: short stacking energy: -177.236 Base-Backbone interact. energy: 5.637 local terms energy: -298.746718 where: bonds (distance) C4'-P energy: -90.371 bonds (distance) P-C4' energy: -98.876 flat angles C4'-P-C4' energy: -74.645 flat angles P-C4'-P energy: -41.545 tors. eta vs tors. theta energy: 6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2099.632022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.632022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.632022 (E_RNA) where: Base-Base interactions energy: -1442.577 where: short stacking energy: -596.934 Base-Backbone interact. energy: 0.264 local terms energy: -657.319092 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -134.338 flat angles P-C4'-P energy: -90.397 tors. eta vs tors. theta energy: -185.165 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: 3 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2052.938356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.938356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.938356 (E_RNA) where: Base-Base interactions energy: -1435.868 where: short stacking energy: -624.182 Base-Backbone interact. energy: -2.122 local terms energy: -614.948196 where: bonds (distance) C4'-P energy: -115.275 bonds (distance) P-C4' energy: -108.385 flat angles C4'-P-C4' energy: -130.399 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: -187.280 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: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1950.632648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.632648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.632648 (E_RNA) where: Base-Base interactions energy: -1355.807 where: short stacking energy: -558.014 Base-Backbone interact. energy: -2.834 local terms energy: -591.991208 where: bonds (distance) C4'-P energy: -112.916 bonds (distance) P-C4' energy: -98.992 flat angles C4'-P-C4' energy: -133.661 flat angles P-C4'-P energy: -89.079 tors. eta vs tors. theta energy: -157.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1859.887535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.887535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.887535 (E_RNA) where: Base-Base interactions energy: -1317.800 where: short stacking energy: -545.388 Base-Backbone interact. energy: 0.909 local terms energy: -542.996555 where: bonds (distance) C4'-P energy: -102.103 bonds (distance) P-C4' energy: -100.516 flat angles C4'-P-C4' energy: -118.547 flat angles P-C4'-P energy: -80.899 tors. eta vs tors. theta energy: -140.933 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: 5, replica: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1680.032787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.032787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.032787 (E_RNA) where: Base-Base interactions energy: -1173.605 where: short stacking energy: -480.995 Base-Backbone interact. energy: 1.661 local terms energy: -508.089040 where: bonds (distance) C4'-P energy: -92.421 bonds (distance) P-C4' energy: -116.518 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -70.104 tors. eta vs tors. theta energy: -127.168 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: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1683.808920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.808920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.808920 (E_RNA) where: Base-Base interactions energy: -1151.281 where: short stacking energy: -470.586 Base-Backbone interact. energy: -0.473 local terms energy: -532.054799 where: bonds (distance) C4'-P energy: -108.428 bonds (distance) P-C4' energy: -86.449 flat angles C4'-P-C4' energy: -114.024 flat angles P-C4'-P energy: -77.118 tors. eta vs tors. theta energy: -146.035 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: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1481.310539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.310539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.310539 (E_RNA) where: Base-Base interactions energy: -990.886 where: short stacking energy: -423.692 Base-Backbone interact. energy: -0.041 local terms energy: -490.383964 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -105.623 flat angles C4'-P-C4' energy: -123.273 flat angles P-C4'-P energy: -68.715 tors. eta vs tors. theta energy: -106.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1160.106728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.106728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.106728 (E_RNA) where: Base-Base interactions energy: -727.269 where: short stacking energy: -325.474 Base-Backbone interact. energy: -2.230 local terms energy: -430.607948 where: bonds (distance) C4'-P energy: -85.394 bonds (distance) P-C4' energy: -109.522 flat angles C4'-P-C4' energy: -106.414 flat angles P-C4'-P energy: -66.487 tors. eta vs tors. theta energy: -62.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -928.291851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.291851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.291851 (E_RNA) where: Base-Base interactions energy: -553.521 where: short stacking energy: -281.268 Base-Backbone interact. energy: 0.746 local terms energy: -375.517381 where: bonds (distance) C4'-P energy: -73.997 bonds (distance) P-C4' energy: -106.057 flat angles C4'-P-C4' energy: -98.519 flat angles P-C4'-P energy: -53.820 tors. eta vs tors. theta energy: -43.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -549.883602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.883602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.883602 (E_RNA) where: Base-Base interactions energy: -265.070 where: short stacking energy: -176.661 Base-Backbone interact. energy: 2.295 local terms energy: -287.108456 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -95.107 flat angles C4'-P-C4' energy: -69.464 flat angles P-C4'-P energy: -39.176 tors. eta vs tors. theta energy: 16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2108.302473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.302473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.302473 (E_RNA) where: Base-Base interactions energy: -1459.456 where: short stacking energy: -617.548 Base-Backbone interact. energy: -2.925 local terms energy: -645.921353 where: bonds (distance) C4'-P energy: -122.148 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -133.939 flat angles P-C4'-P energy: -85.232 tors. eta vs tors. theta energy: -188.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2029.898666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.898666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.898666 (E_RNA) where: Base-Base interactions energy: -1416.408 where: short stacking energy: -590.528 Base-Backbone interact. energy: -0.039 local terms energy: -613.451342 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -109.973 flat angles C4'-P-C4' energy: -132.005 flat angles P-C4'-P energy: -82.988 tors. eta vs tors. theta energy: -174.277 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: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1988.648768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.648768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.648768 (E_RNA) where: Base-Base interactions energy: -1369.050 where: short stacking energy: -579.143 Base-Backbone interact. energy: -0.152 local terms energy: -619.447200 where: bonds (distance) C4'-P energy: -110.185 bonds (distance) P-C4' energy: -121.387 flat angles C4'-P-C4' energy: -131.085 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -174.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1877.289919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.289919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.289919 (E_RNA) where: Base-Base interactions energy: -1301.153 where: short stacking energy: -554.590 Base-Backbone interact. energy: -0.206 local terms energy: -575.930287 where: bonds (distance) C4'-P energy: -98.648 bonds (distance) P-C4' energy: -112.917 flat angles C4'-P-C4' energy: -118.246 flat angles P-C4'-P energy: -93.340 tors. eta vs tors. theta energy: -152.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1738.788809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.788809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.788809 (E_RNA) where: Base-Base interactions energy: -1185.098 where: short stacking energy: -471.465 Base-Backbone interact. energy: -0.199 local terms energy: -553.491543 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -116.595 flat angles C4'-P-C4' energy: -124.076 flat angles P-C4'-P energy: -70.296 tors. eta vs tors. theta energy: -129.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1699.492650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.492650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.492650 (E_RNA) where: Base-Base interactions energy: -1179.939 where: short stacking energy: -496.989 Base-Backbone interact. energy: -0.512 local terms energy: -519.041017 where: bonds (distance) C4'-P energy: -91.582 bonds (distance) P-C4' energy: -93.545 flat angles C4'-P-C4' energy: -113.507 flat angles P-C4'-P energy: -82.840 tors. eta vs tors. theta energy: -137.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1533.669078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.669078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.669078 (E_RNA) where: Base-Base interactions energy: -1041.857 where: short stacking energy: -455.550 Base-Backbone interact. energy: 4.907 local terms energy: -496.718840 where: bonds (distance) C4'-P energy: -105.856 bonds (distance) P-C4' energy: -101.158 flat angles C4'-P-C4' energy: -114.027 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -130.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1152.436047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.436047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.436047 (E_RNA) where: Base-Base interactions energy: -730.479 where: short stacking energy: -345.907 Base-Backbone interact. energy: -1.554 local terms energy: -420.403216 where: bonds (distance) C4'-P energy: -101.246 bonds (distance) P-C4' energy: -95.468 flat angles C4'-P-C4' energy: -97.832 flat angles P-C4'-P energy: -55.148 tors. eta vs tors. theta energy: -70.710 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: 9, replica: 4 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -902.122432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.122432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.122432 (E_RNA) where: Base-Base interactions energy: -553.173 where: short stacking energy: -233.401 Base-Backbone interact. energy: 4.319 local terms energy: -353.269059 where: bonds (distance) C4'-P energy: -103.934 bonds (distance) P-C4' energy: -98.095 flat angles C4'-P-C4' energy: -80.477 flat angles P-C4'-P energy: -49.105 tors. eta vs tors. theta energy: -21.657 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: 493 Temperature: 1.350000 Total energy: -544.442611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.442611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.442611 (E_RNA) where: Base-Base interactions energy: -265.649 where: short stacking energy: -150.560 Base-Backbone interact. energy: 3.449 local terms energy: -282.242831 where: bonds (distance) C4'-P energy: -82.658 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -67.358 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: 24.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2105.742259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.742259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.742259 (E_RNA) where: Base-Base interactions energy: -1473.317 where: short stacking energy: -616.816 Base-Backbone interact. energy: -4.083 local terms energy: -628.342660 where: bonds (distance) C4'-P energy: -109.349 bonds (distance) P-C4' energy: -119.903 flat angles C4'-P-C4' energy: -136.170 flat angles P-C4'-P energy: -93.366 tors. eta vs tors. theta energy: -169.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2005.642252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.642252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.642252 (E_RNA) where: Base-Base interactions energy: -1370.260 where: short stacking energy: -570.452 Base-Backbone interact. energy: -2.498 local terms energy: -632.884135 where: bonds (distance) C4'-P energy: -113.949 bonds (distance) P-C4' energy: -128.708 flat angles C4'-P-C4' energy: -132.649 flat angles P-C4'-P energy: -92.236 tors. eta vs tors. theta energy: -165.343 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: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1989.706722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.706722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.706722 (E_RNA) where: Base-Base interactions energy: -1359.763 where: short stacking energy: -573.743 Base-Backbone interact. energy: -5.319 local terms energy: -624.625060 where: bonds (distance) C4'-P energy: -113.809 bonds (distance) P-C4' energy: -117.533 flat angles C4'-P-C4' energy: -126.849 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -184.775 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: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1861.503234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.503234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.503234 (E_RNA) where: Base-Base interactions energy: -1260.724 where: short stacking energy: -525.727 Base-Backbone interact. energy: -2.509 local terms energy: -598.270199 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -118.331 flat angles P-C4'-P energy: -95.077 tors. eta vs tors. theta energy: -143.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1710.898303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.898303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.898303 (E_RNA) where: Base-Base interactions energy: -1154.150 where: short stacking energy: -473.035 Base-Backbone interact. energy: -1.792 local terms energy: -554.956816 where: bonds (distance) C4'-P energy: -104.600 bonds (distance) P-C4' energy: -101.051 flat angles C4'-P-C4' energy: -125.529 flat angles P-C4'-P energy: -84.863 tors. eta vs tors. theta energy: -138.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1664.145325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.145325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.145325 (E_RNA) where: Base-Base interactions energy: -1158.539 where: short stacking energy: -460.014 Base-Backbone interact. energy: 1.590 local terms energy: -507.195727 where: bonds (distance) C4'-P energy: -97.243 bonds (distance) P-C4' energy: -94.129 flat angles C4'-P-C4' energy: -119.773 flat angles P-C4'-P energy: -69.619 tors. eta vs tors. theta energy: -126.431 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: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1548.360955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.360955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.360955 (E_RNA) where: Base-Base interactions energy: -1025.388 where: short stacking energy: -427.428 Base-Backbone interact. energy: -0.446 local terms energy: -522.527167 where: bonds (distance) C4'-P energy: -94.851 bonds (distance) P-C4' energy: -109.464 flat angles C4'-P-C4' energy: -104.250 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -125.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1177.287765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.287765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.287765 (E_RNA) where: Base-Base interactions energy: -727.183 where: short stacking energy: -334.553 Base-Backbone interact. energy: -2.124 local terms energy: -447.980404 where: bonds (distance) C4'-P energy: -88.563 bonds (distance) P-C4' energy: -101.445 flat angles C4'-P-C4' energy: -105.462 flat angles P-C4'-P energy: -71.952 tors. eta vs tors. theta energy: -80.557 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: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -895.364693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.364693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.364693 (E_RNA) where: Base-Base interactions energy: -523.880 where: short stacking energy: -248.526 Base-Backbone interact. energy: 4.035 local terms energy: -375.520115 where: bonds (distance) C4'-P energy: -78.569 bonds (distance) P-C4' energy: -98.533 flat angles C4'-P-C4' energy: -94.375 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -36.952 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: 494 Temperature: 1.350000 Total energy: -488.648360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.648360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.648360 (E_RNA) where: Base-Base interactions energy: -181.749 where: short stacking energy: -150.190 Base-Backbone interact. energy: 2.184 local terms energy: -309.082604 where: bonds (distance) C4'-P energy: -85.827 bonds (distance) P-C4' energy: -100.986 flat angles C4'-P-C4' energy: -99.358 flat angles P-C4'-P energy: -40.041 tors. eta vs tors. theta energy: 17.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2095.735324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.735324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.735324 (E_RNA) where: Base-Base interactions energy: -1446.017 where: short stacking energy: -613.791 Base-Backbone interact. energy: -4.646 local terms energy: -645.072969 where: bonds (distance) C4'-P energy: -117.908 bonds (distance) P-C4' energy: -116.963 flat angles C4'-P-C4' energy: -138.989 flat angles P-C4'-P energy: -96.710 tors. eta vs tors. theta energy: -174.502 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: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2054.404735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.404735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.404735 (E_RNA) where: Base-Base interactions energy: -1444.773 where: short stacking energy: -600.733 Base-Backbone interact. energy: -2.304 local terms energy: -607.327617 where: bonds (distance) C4'-P energy: -116.297 bonds (distance) P-C4' energy: -116.905 flat angles C4'-P-C4' energy: -124.724 flat angles P-C4'-P energy: -86.887 tors. eta vs tors. theta energy: -162.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1983.453607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.453607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.453607 (E_RNA) where: Base-Base interactions energy: -1367.227 where: short stacking energy: -579.702 Base-Backbone interact. energy: -4.735 local terms energy: -611.491767 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -109.921 flat angles C4'-P-C4' energy: -122.102 flat angles P-C4'-P energy: -92.419 tors. eta vs tors. theta energy: -182.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1850.208781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.208781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.208781 (E_RNA) where: Base-Base interactions energy: -1307.203 where: short stacking energy: -566.194 Base-Backbone interact. energy: -3.643 local terms energy: -539.363049 where: bonds (distance) C4'-P energy: -98.984 bonds (distance) P-C4' energy: -84.583 flat angles C4'-P-C4' energy: -117.658 flat angles P-C4'-P energy: -86.058 tors. eta vs tors. theta energy: -152.080 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: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1740.654524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.654524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.654524 (E_RNA) where: Base-Base interactions energy: -1217.677 where: short stacking energy: -504.391 Base-Backbone interact. energy: -1.718 local terms energy: -521.259527 where: bonds (distance) C4'-P energy: -97.409 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -119.370 flat angles P-C4'-P energy: -67.737 tors. eta vs tors. theta energy: -130.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1619.381510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.381510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.381510 (E_RNA) where: Base-Base interactions energy: -1092.269 where: short stacking energy: -466.388 Base-Backbone interact. energy: -0.918 local terms energy: -526.195103 where: bonds (distance) C4'-P energy: -103.342 bonds (distance) P-C4' energy: -111.821 flat angles C4'-P-C4' energy: -116.843 flat angles P-C4'-P energy: -67.061 tors. eta vs tors. theta energy: -127.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1521.999989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.999989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.999989 (E_RNA) where: Base-Base interactions energy: -1019.777 where: short stacking energy: -457.276 Base-Backbone interact. energy: -2.009 local terms energy: -500.214693 where: bonds (distance) C4'-P energy: -80.685 bonds (distance) P-C4' energy: -82.407 flat angles C4'-P-C4' energy: -121.083 flat angles P-C4'-P energy: -80.004 tors. eta vs tors. theta energy: -136.035 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: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1149.108945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.108945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.108945 (E_RNA) where: Base-Base interactions energy: -718.001 where: short stacking energy: -308.239 Base-Backbone interact. energy: -0.024 local terms energy: -431.084245 where: bonds (distance) C4'-P energy: -103.371 bonds (distance) P-C4' energy: -86.896 flat angles C4'-P-C4' energy: -104.933 flat angles P-C4'-P energy: -73.697 tors. eta vs tors. theta energy: -62.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -835.202972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.202972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.202972 (E_RNA) where: Base-Base interactions energy: -457.069 where: short stacking energy: -238.047 Base-Backbone interact. energy: 3.182 local terms energy: -381.316415 where: bonds (distance) C4'-P energy: -99.110 bonds (distance) P-C4' energy: -121.278 flat angles C4'-P-C4' energy: -90.871 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -467.822517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.822517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.822517 (E_RNA) where: Base-Base interactions energy: -171.525 where: short stacking energy: -127.821 Base-Backbone interact. energy: 2.997 local terms energy: -299.294925 where: bonds (distance) C4'-P energy: -91.229 bonds (distance) P-C4' energy: -109.525 flat angles C4'-P-C4' energy: -89.515 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: 29.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2086.789300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.789300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.789300 (E_RNA) where: Base-Base interactions energy: -1437.666 where: short stacking energy: -609.336 Base-Backbone interact. energy: -3.918 local terms energy: -645.205465 where: bonds (distance) C4'-P energy: -113.993 bonds (distance) P-C4' energy: -124.749 flat angles C4'-P-C4' energy: -132.229 flat angles P-C4'-P energy: -101.503 tors. eta vs tors. theta energy: -172.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2022.590740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.590740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.590740 (E_RNA) where: Base-Base interactions energy: -1372.820 where: short stacking energy: -572.854 Base-Backbone interact. energy: -3.212 local terms energy: -646.559102 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -119.521 flat angles C4'-P-C4' energy: -139.804 flat angles P-C4'-P energy: -87.974 tors. eta vs tors. theta energy: -168.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1978.987214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.987214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.987214 (E_RNA) where: Base-Base interactions energy: -1388.496 where: short stacking energy: -581.597 Base-Backbone interact. energy: 3.338 local terms energy: -593.828829 where: bonds (distance) C4'-P energy: -109.769 bonds (distance) P-C4' energy: -109.613 flat angles C4'-P-C4' energy: -116.594 flat angles P-C4'-P energy: -71.796 tors. eta vs tors. theta energy: -186.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1884.946735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.946735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.946735 (E_RNA) where: Base-Base interactions energy: -1313.537 where: short stacking energy: -564.291 Base-Backbone interact. energy: -1.865 local terms energy: -569.543966 where: bonds (distance) C4'-P energy: -107.683 bonds (distance) P-C4' energy: -103.486 flat angles C4'-P-C4' energy: -120.884 flat angles P-C4'-P energy: -82.481 tors. eta vs tors. theta energy: -155.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1732.481680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.481680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.481680 (E_RNA) where: Base-Base interactions energy: -1198.619 where: short stacking energy: -498.830 Base-Backbone interact. energy: 0.035 local terms energy: -533.897370 where: bonds (distance) C4'-P energy: -106.549 bonds (distance) P-C4' energy: -95.085 flat angles C4'-P-C4' energy: -116.936 flat angles P-C4'-P energy: -77.462 tors. eta vs tors. theta energy: -137.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1652.575576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.575576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.575576 (E_RNA) where: Base-Base interactions energy: -1111.415 where: short stacking energy: -483.506 Base-Backbone interact. energy: 0.741 local terms energy: -541.901498 where: bonds (distance) C4'-P energy: -102.430 bonds (distance) P-C4' energy: -92.842 flat angles C4'-P-C4' energy: -119.051 flat angles P-C4'-P energy: -86.055 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: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1552.670390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.670390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.670390 (E_RNA) where: Base-Base interactions energy: -1053.090 where: short stacking energy: -453.241 Base-Backbone interact. energy: 0.458 local terms energy: -500.038591 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -97.711 flat angles C4'-P-C4' energy: -112.689 flat angles P-C4'-P energy: -72.039 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: 8, replica: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1188.476366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.476366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.476366 (E_RNA) where: Base-Base interactions energy: -753.146 where: short stacking energy: -333.237 Base-Backbone interact. energy: 1.970 local terms energy: -437.300036 where: bonds (distance) C4'-P energy: -86.944 bonds (distance) P-C4' energy: -117.574 flat angles C4'-P-C4' energy: -101.489 flat angles P-C4'-P energy: -61.108 tors. eta vs tors. theta energy: -70.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -917.272219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.272219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.272219 (E_RNA) where: Base-Base interactions energy: -527.240 where: short stacking energy: -255.864 Base-Backbone interact. energy: 1.707 local terms energy: -391.739174 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -98.917 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -29.270 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: 10, replica: 7 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -487.627779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.627779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.627779 (E_RNA) where: Base-Base interactions energy: -189.735 where: short stacking energy: -142.506 Base-Backbone interact. energy: -0.249 local terms energy: -297.643239 where: bonds (distance) C4'-P energy: -90.806 bonds (distance) P-C4' energy: -94.979 flat angles C4'-P-C4' energy: -77.850 flat angles P-C4'-P energy: -53.343 tors. eta vs tors. theta energy: 19.335 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: 2 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2092.118925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.118925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.118925 (E_RNA) where: Base-Base interactions energy: -1468.054 where: short stacking energy: -613.217 Base-Backbone interact. energy: 1.683 local terms energy: -625.747848 where: bonds (distance) C4'-P energy: -114.364 bonds (distance) P-C4' energy: -128.317 flat angles C4'-P-C4' energy: -132.549 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: -171.167 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: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2034.569687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.569687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.569687 (E_RNA) where: Base-Base interactions energy: -1411.816 where: short stacking energy: -610.670 Base-Backbone interact. energy: -5.034 local terms energy: -617.719809 where: bonds (distance) C4'-P energy: -93.228 bonds (distance) P-C4' energy: -125.282 flat angles C4'-P-C4' energy: -134.171 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -180.899 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: 497 Temperature: 1.000000 Total energy: -1992.910808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.910808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.910808 (E_RNA) where: Base-Base interactions energy: -1375.668 where: short stacking energy: -575.355 Base-Backbone interact. energy: -3.125 local terms energy: -614.117561 where: bonds (distance) C4'-P energy: -112.416 bonds (distance) P-C4' energy: -105.384 flat angles C4'-P-C4' energy: -130.183 flat angles P-C4'-P energy: -100.170 tors. eta vs tors. theta energy: -165.966 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: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1896.411154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.411154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.411154 (E_RNA) where: Base-Base interactions energy: -1301.477 where: short stacking energy: -543.937 Base-Backbone interact. energy: -2.204 local terms energy: -592.730033 where: bonds (distance) C4'-P energy: -94.387 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -161.319 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: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1706.415059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.415059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.415059 (E_RNA) where: Base-Base interactions energy: -1180.742 where: short stacking energy: -469.266 Base-Backbone interact. energy: -3.642 local terms energy: -522.031292 where: bonds (distance) C4'-P energy: -92.301 bonds (distance) P-C4' energy: -127.732 flat angles C4'-P-C4' energy: -123.783 flat angles P-C4'-P energy: -50.169 tors. eta vs tors. theta energy: -128.046 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: 497 Temperature: 1.150000 Total energy: -1608.243686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.243686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.243686 (E_RNA) where: Base-Base interactions energy: -1083.176 where: short stacking energy: -429.296 Base-Backbone interact. energy: 1.946 local terms energy: -527.014049 where: bonds (distance) C4'-P energy: -110.684 bonds (distance) P-C4' energy: -110.943 flat angles C4'-P-C4' energy: -112.028 flat angles P-C4'-P energy: -70.633 tors. eta vs tors. theta energy: -122.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1502.660511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.660511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.660511 (E_RNA) where: Base-Base interactions energy: -1006.057 where: short stacking energy: -435.079 Base-Backbone interact. energy: -2.531 local terms energy: -494.072336 where: bonds (distance) C4'-P energy: -92.377 bonds (distance) P-C4' energy: -106.961 flat angles C4'-P-C4' energy: -100.347 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -118.487 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: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1151.311801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.311801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.311801 (E_RNA) where: Base-Base interactions energy: -749.084 where: short stacking energy: -346.642 Base-Backbone interact. energy: -2.200 local terms energy: -400.027765 where: bonds (distance) C4'-P energy: -98.233 bonds (distance) P-C4' energy: -99.828 flat angles C4'-P-C4' energy: -87.296 flat angles P-C4'-P energy: -39.383 tors. eta vs tors. theta energy: -75.288 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: 4 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -926.917313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.917313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.917313 (E_RNA) where: Base-Base interactions energy: -530.443 where: short stacking energy: -251.098 Base-Backbone interact. energy: -1.555 local terms energy: -394.919454 where: bonds (distance) C4'-P energy: -75.956 bonds (distance) P-C4' energy: -118.119 flat angles C4'-P-C4' energy: -104.283 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -36.800 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: 7 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -468.214195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.214195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.214195 (E_RNA) where: Base-Base interactions energy: -180.801 where: short stacking energy: -131.823 Base-Backbone interact. energy: 0.656 local terms energy: -288.069351 where: bonds (distance) C4'-P energy: -83.135 bonds (distance) P-C4' energy: -100.666 flat angles C4'-P-C4' energy: -76.381 flat angles P-C4'-P energy: -49.702 tors. eta vs tors. theta energy: 21.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2123.955439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.955439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.955439 (E_RNA) where: Base-Base interactions energy: -1466.459 where: short stacking energy: -615.259 Base-Backbone interact. energy: -2.979 local terms energy: -654.517862 where: bonds (distance) C4'-P energy: -118.232 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -131.676 flat angles P-C4'-P energy: -97.842 tors. eta vs tors. theta energy: -188.618 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: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2025.610834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.610834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.610834 (E_RNA) where: Base-Base interactions energy: -1413.686 where: short stacking energy: -594.974 Base-Backbone interact. energy: -0.689 local terms energy: -611.235657 where: bonds (distance) C4'-P energy: -107.881 bonds (distance) P-C4' energy: -119.753 flat angles C4'-P-C4' energy: -123.152 flat angles P-C4'-P energy: -84.982 tors. eta vs tors. theta energy: -175.468 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: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1966.182074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.182074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.182074 (E_RNA) where: Base-Base interactions energy: -1356.407 where: short stacking energy: -589.897 Base-Backbone interact. energy: -5.900 local terms energy: -603.875140 where: bonds (distance) C4'-P energy: -111.503 bonds (distance) P-C4' energy: -117.890 flat angles C4'-P-C4' energy: -128.451 flat angles P-C4'-P energy: -87.201 tors. eta vs tors. theta energy: -158.830 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: 498 Temperature: 1.050000 Total energy: -1948.723568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.723568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.723568 (E_RNA) where: Base-Base interactions energy: -1373.308 where: short stacking energy: -566.135 Base-Backbone interact. energy: -3.041 local terms energy: -572.374146 where: bonds (distance) C4'-P energy: -97.123 bonds (distance) P-C4' energy: -100.942 flat angles C4'-P-C4' energy: -128.010 flat angles P-C4'-P energy: -85.639 tors. eta vs tors. theta energy: -160.660 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: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1708.654980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.654980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.654980 (E_RNA) where: Base-Base interactions energy: -1171.126 where: short stacking energy: -490.928 Base-Backbone interact. energy: -3.413 local terms energy: -534.115509 where: bonds (distance) C4'-P energy: -100.704 bonds (distance) P-C4' energy: -89.521 flat angles C4'-P-C4' energy: -126.724 flat angles P-C4'-P energy: -82.149 tors. eta vs tors. theta energy: -135.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1565.017576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.017576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.017576 (E_RNA) where: Base-Base interactions energy: -1069.583 where: short stacking energy: -429.852 Base-Backbone interact. energy: 0.144 local terms energy: -495.578655 where: bonds (distance) C4'-P energy: -100.532 bonds (distance) P-C4' energy: -95.263 flat angles C4'-P-C4' energy: -113.154 flat angles P-C4'-P energy: -80.719 tors. eta vs tors. theta energy: -105.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1490.135086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.135086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.135086 (E_RNA) where: Base-Base interactions energy: -991.681 where: short stacking energy: -427.165 Base-Backbone interact. energy: -0.882 local terms energy: -497.572224 where: bonds (distance) C4'-P energy: -93.228 bonds (distance) P-C4' energy: -101.725 flat angles C4'-P-C4' energy: -107.490 flat angles P-C4'-P energy: -71.996 tors. eta vs tors. theta energy: -123.133 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: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1155.146070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.146070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.146070 (E_RNA) where: Base-Base interactions energy: -706.593 where: short stacking energy: -320.721 Base-Backbone interact. energy: 0.180 local terms energy: -448.733568 where: bonds (distance) C4'-P energy: -88.272 bonds (distance) P-C4' energy: -111.209 flat angles C4'-P-C4' energy: -102.476 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -72.072 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: 9, replica: 4 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -898.718986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.718986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.718986 (E_RNA) where: Base-Base interactions energy: -536.790 where: short stacking energy: -275.263 Base-Backbone interact. energy: -2.286 local terms energy: -359.642816 where: bonds (distance) C4'-P energy: -77.853 bonds (distance) P-C4' energy: -101.034 flat angles C4'-P-C4' energy: -81.210 flat angles P-C4'-P energy: -51.246 tors. eta vs tors. theta energy: -48.300 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: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -460.471878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.471878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.471878 (E_RNA) where: Base-Base interactions energy: -165.595 where: short stacking energy: -126.556 Base-Backbone interact. energy: -1.507 local terms energy: -293.370321 where: bonds (distance) C4'-P energy: -87.836 bonds (distance) P-C4' energy: -87.603 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: 25.181 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: 1, replica: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2100.146069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.146069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.146069 (E_RNA) where: Base-Base interactions energy: -1457.946 where: short stacking energy: -636.785 Base-Backbone interact. energy: -1.023 local terms energy: -641.176948 where: bonds (distance) C4'-P energy: -116.618 bonds (distance) P-C4' energy: -111.738 flat angles C4'-P-C4' energy: -135.324 flat angles P-C4'-P energy: -88.596 tors. eta vs tors. theta energy: -188.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2060.253656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.253656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.253656 (E_RNA) where: Base-Base interactions energy: -1404.240 where: short stacking energy: -592.765 Base-Backbone interact. energy: -1.884 local terms energy: -654.129716 where: bonds (distance) C4'-P energy: -122.025 bonds (distance) P-C4' energy: -118.888 flat angles C4'-P-C4' energy: -130.504 flat angles P-C4'-P energy: -91.856 tors. eta vs tors. theta energy: -190.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1944.283239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.283239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.283239 (E_RNA) where: Base-Base interactions energy: -1358.230 where: short stacking energy: -564.302 Base-Backbone interact. energy: -1.095 local terms energy: -584.958458 where: bonds (distance) C4'-P energy: -109.549 bonds (distance) P-C4' energy: -123.798 flat angles C4'-P-C4' energy: -124.361 flat angles P-C4'-P energy: -85.048 tors. eta vs tors. theta energy: -142.202 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: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1900.787120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.787120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.787120 (E_RNA) where: Base-Base interactions energy: -1300.342 where: short stacking energy: -551.608 Base-Backbone interact. energy: -3.118 local terms energy: -597.327211 where: bonds (distance) C4'-P energy: -97.879 bonds (distance) P-C4' energy: -112.579 flat angles C4'-P-C4' energy: -128.259 flat angles P-C4'-P energy: -95.631 tors. eta vs tors. theta energy: -162.979 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: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1647.407207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.407207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.407207 (E_RNA) where: Base-Base interactions energy: -1132.185 where: short stacking energy: -463.155 Base-Backbone interact. energy: -6.012 local terms energy: -509.210255 where: bonds (distance) C4'-P energy: -96.372 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -79.370 tors. eta vs tors. theta energy: -116.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1586.299595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.299595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.299595 (E_RNA) where: Base-Base interactions energy: -1093.285 where: short stacking energy: -465.039 Base-Backbone interact. energy: -0.002 local terms energy: -493.012184 where: bonds (distance) C4'-P energy: -91.569 bonds (distance) P-C4' energy: -101.611 flat angles C4'-P-C4' energy: -115.375 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -122.774 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: 7, replica: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1507.029021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.029021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.029021 (E_RNA) where: Base-Base interactions energy: -1021.895 where: short stacking energy: -440.584 Base-Backbone interact. energy: -1.323 local terms energy: -483.811175 where: bonds (distance) C4'-P energy: -85.094 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -123.583 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: -112.326 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: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1135.560917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.560917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.560917 (E_RNA) where: Base-Base interactions energy: -722.348 where: short stacking energy: -310.511 Base-Backbone interact. energy: 3.748 local terms energy: -416.961224 where: bonds (distance) C4'-P energy: -91.869 bonds (distance) P-C4' energy: -97.548 flat angles C4'-P-C4' energy: -95.087 flat angles P-C4'-P energy: -64.708 tors. eta vs tors. theta energy: -67.749 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: 4 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -900.467647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.467647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.467647 (E_RNA) where: Base-Base interactions energy: -538.060 where: short stacking energy: -236.420 Base-Backbone interact. energy: -2.757 local terms energy: -359.650615 where: bonds (distance) C4'-P energy: -96.438 bonds (distance) P-C4' energy: -104.949 flat angles C4'-P-C4' energy: -103.841 flat angles P-C4'-P energy: -37.358 tors. eta vs tors. theta energy: -17.065 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: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -453.223748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.223748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.223748 (E_RNA) where: Base-Base interactions energy: -179.795 where: short stacking energy: -142.697 Base-Backbone interact. energy: -2.042 local terms energy: -271.387287 where: bonds (distance) C4'-P energy: -91.864 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: 33.159 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: 1, replica: 2 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2109.275499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.275499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.275499 (E_RNA) where: Base-Base interactions energy: -1467.843 where: short stacking energy: -610.719 Base-Backbone interact. energy: -2.001 local terms energy: -639.432145 where: bonds (distance) C4'-P energy: -122.821 bonds (distance) P-C4' energy: -122.973 flat angles C4'-P-C4' energy: -128.325 flat angles P-C4'-P energy: -86.967 tors. eta vs tors. theta energy: -178.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2005.926084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.926084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.926084 (E_RNA) where: Base-Base interactions energy: -1390.658 where: short stacking energy: -584.757 Base-Backbone interact. energy: -3.694 local terms energy: -611.574009 where: bonds (distance) C4'-P energy: -105.680 bonds (distance) P-C4' energy: -116.100 flat angles C4'-P-C4' energy: -129.634 flat angles P-C4'-P energy: -77.094 tors. eta vs tors. theta energy: -183.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1974.303754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.303754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.303754 (E_RNA) where: Base-Base interactions energy: -1337.933 where: short stacking energy: -564.849 Base-Backbone interact. energy: -1.819 local terms energy: -634.551769 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -116.759 flat angles C4'-P-C4' energy: -143.241 flat angles P-C4'-P energy: -94.993 tors. eta vs tors. theta energy: -157.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1862.893665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.893665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.893665 (E_RNA) where: Base-Base interactions energy: -1285.274 where: short stacking energy: -539.405 Base-Backbone interact. energy: -2.168 local terms energy: -575.451300 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -126.011 flat angles C4'-P-C4' energy: -128.208 flat angles P-C4'-P energy: -75.547 tors. eta vs tors. theta energy: -147.860 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: 5, replica: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1715.449978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.449978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.449978 (E_RNA) where: Base-Base interactions energy: -1213.691 where: short stacking energy: -469.622 Base-Backbone interact. energy: -3.724 local terms energy: -498.034747 where: bonds (distance) C4'-P energy: -94.865 bonds (distance) P-C4' energy: -92.530 flat angles C4'-P-C4' energy: -110.093 flat angles P-C4'-P energy: -68.419 tors. eta vs tors. theta energy: -132.129 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: 500 Temperature: 1.150000 Total energy: -1547.102198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.102198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.102198 (E_RNA) where: Base-Base interactions energy: -1020.181 where: short stacking energy: -433.735 Base-Backbone interact. energy: 3.808 local terms energy: -530.729343 where: bonds (distance) C4'-P energy: -112.740 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -81.416 tors. eta vs tors. theta energy: -112.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1489.376188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.376188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.376188 (E_RNA) where: Base-Base interactions energy: -1014.776 where: short stacking energy: -418.188 Base-Backbone interact. energy: -2.907 local terms energy: -471.692619 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -102.080 flat angles C4'-P-C4' energy: -107.257 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -108.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1135.032637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.032637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.032637 (E_RNA) where: Base-Base interactions energy: -685.859 where: short stacking energy: -334.566 Base-Backbone interact. energy: -1.849 local terms energy: -447.324942 where: bonds (distance) C4'-P energy: -97.823 bonds (distance) P-C4' energy: -101.479 flat angles C4'-P-C4' energy: -102.037 flat angles P-C4'-P energy: -72.361 tors. eta vs tors. theta energy: -73.624 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: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -890.325122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.325122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.325122 (E_RNA) where: Base-Base interactions energy: -509.440 where: short stacking energy: -236.258 Base-Backbone interact. energy: -2.471 local terms energy: -378.414184 where: bonds (distance) C4'-P energy: -90.211 bonds (distance) P-C4' energy: -107.807 flat angles C4'-P-C4' energy: -110.178 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: -17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -470.481784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.481784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.481784 (E_RNA) where: Base-Base interactions energy: -164.545 where: short stacking energy: -123.319 Base-Backbone interact. energy: -3.425 local terms energy: -302.511559 where: bonds (distance) C4'-P energy: -101.008 bonds (distance) P-C4' energy: -86.231 flat angles C4'-P-C4' energy: -86.022 flat angles P-C4'-P energy: -56.310 tors. eta vs tors. theta energy: 27.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2107.428462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.428462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.428462 (E_RNA) where: Base-Base interactions energy: -1475.946 where: short stacking energy: -615.464 Base-Backbone interact. energy: -3.504 local terms energy: -627.978704 where: bonds (distance) C4'-P energy: -110.666 bonds (distance) P-C4' energy: -115.557 flat angles C4'-P-C4' energy: -137.451 flat angles P-C4'-P energy: -85.992 tors. eta vs tors. theta energy: -178.313 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: 2, replica: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2024.194467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.194467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.194467 (E_RNA) where: Base-Base interactions energy: -1388.903 where: short stacking energy: -563.662 Base-Backbone interact. energy: -2.991 local terms energy: -632.300810 where: bonds (distance) C4'-P energy: -132.086 bonds (distance) P-C4' energy: -112.221 flat angles C4'-P-C4' energy: -120.365 flat angles P-C4'-P energy: -80.464 tors. eta vs tors. theta energy: -187.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1949.677017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.677017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.677017 (E_RNA) where: Base-Base interactions energy: -1351.777 where: short stacking energy: -582.094 Base-Backbone interact. energy: -4.787 local terms energy: -593.112780 where: bonds (distance) C4'-P energy: -111.064 bonds (distance) P-C4' energy: -107.038 flat angles C4'-P-C4' energy: -131.211 flat angles P-C4'-P energy: -82.118 tors. eta vs tors. theta energy: -161.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1897.877029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.877029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.877029 (E_RNA) where: Base-Base interactions energy: -1312.312 where: short stacking energy: -538.260 Base-Backbone interact. energy: -0.876 local terms energy: -584.689264 where: bonds (distance) C4'-P energy: -113.073 bonds (distance) P-C4' energy: -116.681 flat angles C4'-P-C4' energy: -122.851 flat angles P-C4'-P energy: -82.634 tors. eta vs tors. theta energy: -149.450 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: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1712.982014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.982014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.982014 (E_RNA) where: Base-Base interactions energy: -1160.145 where: short stacking energy: -488.869 Base-Backbone interact. energy: -4.216 local terms energy: -548.620641 where: bonds (distance) C4'-P energy: -111.677 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -114.056 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -133.416 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: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1567.934182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.934182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.934182 (E_RNA) where: Base-Base interactions energy: -1046.482 where: short stacking energy: -434.515 Base-Backbone interact. energy: -1.260 local terms energy: -520.192222 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -109.887 flat angles C4'-P-C4' energy: -116.129 flat angles P-C4'-P energy: -74.880 tors. eta vs tors. theta energy: -113.118 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: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1497.293186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.293186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.293186 (E_RNA) where: Base-Base interactions energy: -994.143 where: short stacking energy: -439.635 Base-Backbone interact. energy: -1.743 local terms energy: -501.407698 where: bonds (distance) C4'-P energy: -105.219 bonds (distance) P-C4' energy: -91.002 flat angles C4'-P-C4' energy: -125.044 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: -110.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1149.911169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.911169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.911169 (E_RNA) where: Base-Base interactions energy: -734.505 where: short stacking energy: -340.052 Base-Backbone interact. energy: -2.064 local terms energy: -413.342302 where: bonds (distance) C4'-P energy: -95.315 bonds (distance) P-C4' energy: -105.687 flat angles C4'-P-C4' energy: -88.541 flat angles P-C4'-P energy: -58.061 tors. eta vs tors. theta energy: -65.739 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: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -895.076673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.076673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.076673 (E_RNA) where: Base-Base interactions energy: -502.324 where: short stacking energy: -235.887 Base-Backbone interact. energy: -1.459 local terms energy: -391.293375 where: bonds (distance) C4'-P energy: -85.268 bonds (distance) P-C4' energy: -118.117 flat angles C4'-P-C4' energy: -95.667 flat angles P-C4'-P energy: -66.048 tors. eta vs tors. theta energy: -26.193 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: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -489.528333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.528333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.528333 (E_RNA) where: Base-Base interactions energy: -184.825 where: short stacking energy: -141.686 Base-Backbone interact. energy: 2.493 local terms energy: -307.197234 where: bonds (distance) C4'-P energy: -77.502 bonds (distance) P-C4' energy: -95.433 flat angles C4'-P-C4' energy: -91.352 flat angles P-C4'-P energy: -54.150 tors. eta vs tors. theta energy: 11.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 2 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 88207833 moves confirmed later: 94722283 all moves confirmed: 182930116 percent of confirmed moves: 22.866264 current total energy: -2026.602374 recalc. total energy: -2026.602374 replica 3 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 97651612 moves confirmed later: 106862562 all moves confirmed: 204514174 percent of confirmed moves: 25.564272 current total energy: -1947.324664 recalc. total energy: -1947.324664 replica 5 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 152387303 moves confirmed later: 177743489 all moves confirmed: 330130792 percent of confirmed moves: 41.266349 current total energy: -1880.874042 recalc. total energy: -1880.874042 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 114455553 moves confirmed later: 128371075 all moves confirmed: 242826628 percent of confirmed moves: 30.353328 current total energy: -1784.653100 recalc. total energy: -1784.653100 replica 9 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 100945199 moves confirmed later: 110792438 all moves confirmed: 211737637 percent of confirmed moves: 26.467205 current total energy: -1536.272752 recalc. total energy: -1536.272752 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 153111009 moves confirmed later: 178683370 all moves confirmed: 331794379 percent of confirmed moves: 41.474297 current total energy: -1377.658405 recalc. total energy: -1377.658405 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 133311448 moves confirmed later: 153200835 all moves confirmed: 286512283 percent of confirmed moves: 35.814035 current total energy: -1339.938531 recalc. total energy: -1339.938531 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 174645762 moves confirmed later: 206016662 all moves confirmed: 380662424 percent of confirmed moves: 47.582803 current total energy: -1005.215982 recalc. total energy: -1005.215982 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 187944390 moves confirmed later: 223598147 all moves confirmed: 411542537 percent of confirmed moves: 51.442817 current total energy: -796.687111 recalc. total energy: -796.687111 replica 7 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 170172966 moves confirmed later: 200114302 all moves confirmed: 370287268 percent of confirmed moves: 46.285908 current total energy: -333.787045 recalc. total energy: -333.787045 out arg RESULTS//1/Dha-2205dd04_01 Time of doing 8000000 iterations: 34449.783 seconds